6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline

C207H242Cl7F5N12O2S7 — CID 158083717

About 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline

6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline (PubChem CID 158083717) has the molecular formula C207H242Cl7F5N12O2S7 and a molecular weight of 3497.92 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline
• PubChem CID: 158083717
• Molecular Formula: C207H242Cl7F5N12O2S7
• Molecular Weight: 3497.92 g/mol
• Exact Mass: 3491.50
• IUPAC Name: 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline
• SMILES: C.C.CCCc1ccc(Cl)cc1.CCCc1ccc(Cl)cc1.CCCc1ccc(F)cc1.CCCc1ccc(F)cc1.CCCc1cccc(C)c1.CCCc1cccc(C)n1.CCCc1cccc(Cl)c1.CCCc1cccc(Cl)c1.CCCc1ccccc1.CCCc1ccccc1.CCCc1ccccc1C.CCCc1ccccc1Cl.COc1ccc2sc(C)nc2c1.Cc1ccc(C)nc1.Cc1ccc(N(C)C)cc1.Cc1ccccc1.Cc1nc2c(F)cccc2s1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2cccc(F)c2s1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.SCc1ccccc1
• InChI: InChI=1S/2C10H14.5C9H11Cl.2C9H11F.C9H9NOS.2C9H13N.2C9H12.C8H6ClNO.C8H6ClNS.3C8H6FNS.C8H8N2.C8H7NS.C7H9N.C7H8S.C7H8.2CH4/c1-3-6-10-8-5-4-7-9(10)2;1-3-5-10-7-4-6-9(2)8-10;1-2-5-8-6-3-4-7-9(8)10;2*1-2-4-8-5-3-6-9(10)7-8;4*1-2-3-8-4-6-9(10)7-5-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-8-4-6-9(7-5-8)10(2)3;1-3-5-9-7-4-6-8(2)10-9;2*1-2-6-9-7-4-3-5-8-9;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-5-10-7-4-2-3-6(9)8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-4-7(2)8-5-6;8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;;/h4-5,7-8H,3,6H2,1-2H3;4,6-8H,3,5H2,1-2H3;3-4,6-7H,2,5H2,1H3;2*3,5-7H,2,4H2,1H3;4*4-7H,2-3H2,1H3;3-5H,1-2H3;4-7H,1-3H3;4,6-7H,3,5H2,1-2H3;2*3-5,7-8H,2,6H2,1H3;5*2-4H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3;3-5H,1-2H3;1-5,8H,6H2;2-6H,1H3;2*1H4
• InChIKey: FNGMLFPXKOGCGY-UHFFFAOYSA-N
• XLogP: 66.05
• TPSA: 170.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3497.92
LogP ≤ 5	66.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline?

The IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline (CID 158083717) is 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline.

What is the SMILES notation for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline?

The canonical SMILES for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline is C.C.CCCc1ccc(Cl)cc1.CCCc1ccc(Cl)cc1.CCCc1ccc(F)cc1.CCCc1ccc(F)cc1.CCCc1cccc(C)c1.CCCc1cccc(C)n1.CCCc1cccc(Cl)c1.CCCc1cccc(Cl)c1.CCCc1ccccc1.CCCc1ccccc1.CCCc1ccccc1C.CCCc1ccccc1Cl.COc1ccc2sc(C)nc2c1.Cc1ccc(C)nc1.Cc1ccc(N(C)C)cc1.Cc1ccccc1.Cc1nc2c(F)cccc2s1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2cccc(F)c2s1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.SCc1ccccc1.

What is the InChIKey of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline?

The InChIKey is FNGMLFPXKOGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.5C9H11Cl.2C9H11F.C9H9NOS.2C9H13N.2C9H12.C8H6ClNO.C8H6ClNS.3C8H6FNS.C8H8N2.C8H7NS.C7H9N.C7H8S.C7H8.2CH4/c1-3-6-10-8-5-4-7-9(10)2;1-3-5-10-7-4-6-9(2)8-10;1-2-5-8-6-3-4-7-9(8)10;2*1-2-4-8-5-3-6-9(10)7-8;4*1-2-3-8-4-6-9(10)7-5-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-8-4-6-9(7-5-8)10(2)3;1-3-5-9-7-4-6-8(2)10-9;2*1-2-6-9-7-4-3-5-8-9;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-5-10-7-4-2-3-6(9)8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-4-7(2)8-5-6;8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;;/h4-5,7-8H,3,6H2,1-2H3;4,6-8H,3,5H2,1-2H3;3-4,6-7H,2,5H2,1H3;2*3,5-7H,2,4H2,1H3;4*4-7H,2-3H2,1H3;3-5H,1-2H3;4-7H,1-3H3;4,6-7H,3,5H2,1-2H3;2*3-5,7-8H,2,6H2,1H3;5*2-4H,1H3;2-5H,1H3,(H,9,10);2-5H,1H3;3-5H,1-2H3;1-5,8H,6H2;2-6H,1H3;2*1H4.

What are the key properties of 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline?

6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline has a molecular weight of 3497.92 g/mol, XLogP of 66.05, 27 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzoxazole;1-chloro-2-propylbenzene;bis(1-chloro-3-propylbenzene);bis(1-chloro-4-propylbenzene);2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;7-fluoro-2-methyl-1,3-benzothiazole;bis(1-fluoro-4-propylbenzene);methane;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methyl-6-propylpyridine;phenylmethanethiol;propylbenzene;toluene;N,N,4-trimethylaniline is sourced from PubChem (CID 158083717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).