4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole

C11H10ClNS2 — CID 2806214

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSc2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H10ClNS2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyDLAWRRBFTOVHMZ-UHFFFAOYSA-N
MW255.80 g/mol
LogP4.40
Rot. Bonds3

About 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole

4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 2806214) has the molecular formula C11H10ClNS2 and a molecular weight of 255.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID2806214
Molecular FormulaC11H10ClNS2
Molecular Weight255.80 g/mol
Exact Mass254.99
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSc2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H10ClNS2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyDLAWRRBFTOVHMZ-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.80
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole (CID 2806214) is 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole is Cc1nc(CSc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is DLAWRRBFTOVHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole?
4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 255.80 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2806214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).