3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole

C56H66Cl5F3N14OS4 — CID 159208699

IUPAC3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
SMILESCc1cccn1C.Cc1ccoc1C.Cc1cnccn1.Cc1cncnc1C(F)(F)F.Cc1nc(Cl)sc1Cl.Cc1ncn(C)c1C.Cc1nn(-c2ccccc2)nc1C.Cc1nnsc1C.Cc1sc(Cl)nc1Cl.Cc1sccc1Cl
InChIInChI=1S/C10H11N3.C6H5F3N2.C6H10N2.C6H9N.C6H8O.C5H5ClS.C5H6N2.2C4H3Cl2NS.C4H6N2S/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-4-2-10-3-11-5(4)6(7,8)9;1-5-6(2)8(3)4-7-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4-5(6)2-3-7-4;1-5-4-6-2-3-7-5;1-2-3(5)7-4(6)8-2;1-2-3(5)8-4(6)7-2;1-3-4(2)7-6-5-3/h3-7H,1-2H3;2-3H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;2*1H3;1-2H3
InChIKeyKQFGNKUZGWQPMW-UHFFFAOYSA-N
MW1313.77 g/mol
LogP18.12
Rot. Bonds1

About 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole

3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole (PubChem CID 159208699) has the molecular formula C56H66Cl5F3N14OS4 and a molecular weight of 1313.77 g/mol. Its IUPAC name is 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole.

Molecular Properties

Compound Name3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
PubChem CID159208699
Molecular FormulaC56H66Cl5F3N14OS4
Molecular Weight1313.77 g/mol
Exact Mass1310.28
IUPAC Name3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
SMILESCc1cccn1C.Cc1ccoc1C.Cc1cnccn1.Cc1cncnc1C(F)(F)F.Cc1nc(Cl)sc1Cl.Cc1ncn(C)c1C.Cc1nn(-c2ccccc2)nc1C.Cc1nnsc1C.Cc1sc(Cl)nc1Cl.Cc1sccc1Cl
InChIInChI=1S/C10H11N3.C6H5F3N2.C6H10N2.C6H9N.C6H8O.C5H5ClS.C5H6N2.2C4H3Cl2NS.C4H6N2S/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-4-2-10-3-11-5(4)6(7,8)9;1-5-6(2)8(3)4-7-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4-5(6)2-3-7-4;1-5-4-6-2-3-7-5;1-2-3(5)7-4(6)8-2;1-2-3(5)8-4(6)7-2;1-3-4(2)7-6-5-3/h3-7H,1-2H3;2-3H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;2*1H3;1-2H3
InChIKeyKQFGNKUZGWQPMW-UHFFFAOYSA-N
XLogP18.12
TPSA169.72 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.77
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole with MolForge

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Related Compounds

3-Chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
CID 158002845
4-Chloro-1,5-dimethylpyrazole;2-chloro-4,5-dimethyl-1,3-thiazole;3-chloro-1,4-dimethyl-5-(trifluoromethyl)pyrazole;5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;2-chloro-3-methylpyridine;3-chloro-2-methylthiophene;3-chloro-1,4,5-trimethylpyrazole;4-chloro-1,3,5-trimethylpyrazole;bis(5-chloro-1,3,4-trimethylpyrazole);2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;tris(2,3-dimethylpyridine);3,4-dimethylpyridine;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole;1,3,4,5-tetramethylpyrazole;1,4,5-trimethylimidazole;1,3,5-trimethyl-4-nitropyrazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,5-trimethyltriazole
CID 159973901
4-bromo-1-methylpyrazole;4-chloro-1-methylpyrazole;2,3-dimethylfuran;bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,3-dimethylthiophene;1-ethyl-4-methylpyrazole;4-fluoro-1-methylpyrazole;3-fluoro-5-methylpyridine;4-iodo-1-methylpyrazole;4-methoxy-1-methylpyrazole;2-methyl-4,5-bis(trifluoromethyl)triazole;3-methylfuran;1-methylimidazole;1-methylpyrazole;1-methylpyrazole-4-carbonitrile;3-methylpyridine;1-methylpyrrole;5-methyl-2H-tetrazole;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)pyrrole;2-methyl-5-(trifluoromethyl)tetrazole;1-methyl-4-(trifluoromethyl)triazole;2-methyl-4-(trifluoromethyl)triazole;2,4,5-trimethyl-1,3-thiazole
CID 161658423
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
Ethane;methane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 157900253
Actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene
CID 158203926
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 159261866
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 159707256
2,3-Dimethylfuran;2,3-dimethylpyridine;2,3-dimethylthiophene;ethane;bis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(3,4,5-trimethyl-1,2-oxazole);1,2,3-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole
CID 160285024
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 161124943
Ethane;2-methylfuran;bis(1-methylimidazole);1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;4-methyl-1,2,4-triazole;toluene
CID 161331792
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 161988762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?
The IUPAC name of 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole (CID 159208699) is 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole.
What is the SMILES notation for 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?
The canonical SMILES for 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole is Cc1cccn1C.Cc1ccoc1C.Cc1cnccn1.Cc1cncnc1C(F)(F)F.Cc1nc(Cl)sc1Cl.Cc1ncn(C)c1C.Cc1nn(-c2ccccc2)nc1C.Cc1nnsc1C.Cc1sc(Cl)nc1Cl.Cc1sccc1Cl.
What is the InChIKey of 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?
The InChIKey is KQFGNKUZGWQPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C6H5F3N2.C6H10N2.C6H9N.C6H8O.C5H5ClS.C5H6N2.2C4H3Cl2NS.C4H6N2S/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-4-2-10-3-11-5(4)6(7,8)9;1-5-6(2)8(3)4-7-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4-5(6)2-3-7-4;1-5-4-6-2-3-7-5;1-2-3(5)7-4(6)8-2;1-2-3(5)8-4(6)7-2;1-3-4(2)7-6-5-3/h3-7H,1-2H3;2-3H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;2*1H3;1-2H3.
What are the key properties of 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?
3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole has a molecular weight of 1313.77 g/mol, XLogP of 18.12, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole is sourced from PubChem (CID 159208699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).