5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole

C14H15Cl2NS — CID 66050768

IUPAC5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC(CCl)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15Cl2NS/c1-10-17-9-14(18-10)7-12(8-15)5-11-3-2-4-13(16)6-11/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyOTIIOKADLUMILN-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.75
Rot. Bonds5

About 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole

5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole (PubChem CID 66050768) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
PubChem CID66050768
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC(CCl)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15Cl2NS/c1-10-17-9-14(18-10)7-12(8-15)5-11-3-2-4-13(16)6-11/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyOTIIOKADLUMILN-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
CID 66048354
2-[(3-bromophenyl)methyl]-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143678
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 66050323
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole (CID 66050768) is 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole is Cc1ncc(CC(CCl)Cc2cccc(Cl)c2)s1.
What is the InChIKey of 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole?
The InChIKey is OTIIOKADLUMILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-10-17-9-14(18-10)7-12(8-15)5-11-3-2-4-13(16)6-11/h2-4,6,9,12H,5,7-8H2,1H3.
What are the key properties of 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole?
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole has a molecular weight of 300.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 66050768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).