4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride

C16H19Cl2NS2 — CID 11957319

IUPAC4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride
SMILESCC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCS1.Cl
InChIInChI=1S/C16H18ClNS2.ClH/c1-16(2)9-12(7-8-20-16)15-18-14(10-19-15)11-3-5-13(17)6-4-11;/h3-6,10,12H,7-9H2,1-2H3;1H
InChIKeyINGVAIBQGFIJKX-UHFFFAOYSA-N
MW360.38 g/mol
LogP6.27
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride

4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride (PubChem CID 11957319) has the molecular formula C16H19Cl2NS2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride
PubChem CID11957319
Molecular FormulaC16H19Cl2NS2
Molecular Weight360.38 g/mol
Exact Mass359.03
IUPAC Name4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride
SMILESCC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCS1.Cl
InChIInChI=1S/C16H18ClNS2.ClH/c1-16(2)9-12(7-8-20-16)15-18-14(10-19-15)11-3-5-13(17)6-4-11;/h3-6,10,12H,7-9H2,1-2H3;1H
InChIKeyINGVAIBQGFIJKX-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 610297
4-(Chloromethyl)-2-(4-ethylphenyl)-1,3-thiazole hydrochloride
CID 15945191
4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
2-Chloro-4-phenylthiazole
CID 2761359
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 626588
[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-(Chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
CID 2063595
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9929077
2-(Ethylthio)-4-phenylthiazole
CID 79206
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride (CID 11957319) is 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride is CC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCS1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride?
The InChIKey is INGVAIBQGFIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS2.ClH/c1-16(2)9-12(7-8-20-16)15-18-14(10-19-15)11-3-5-13(17)6-4-11;/h3-6,10,12H,7-9H2,1-2H3;1H.
What are the key properties of 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride?
4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride has a molecular weight of 360.38 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2,2-dimethylthian-4-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 11957319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).