2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole

C10H8ClNS2 — CID 1480671

IUPAC2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole
SMILESClc1ncc(CSc2ccccc2)s1
InChIInChI=1S/C10H8ClNS2/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyHLBCBFMFCQTTPV-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole

2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole (PubChem CID 1480671) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole
PubChem CID1480671
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole
SMILESClc1ncc(CSc2ccccc2)s1
InChIInChI=1S/C10H8ClNS2/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyHLBCBFMFCQTTPV-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole (CID 1480671) is 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole is Clc1ncc(CSc2ccccc2)s1.
What is the InChIKey of 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole?
The InChIKey is HLBCBFMFCQTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole?
2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole has a molecular weight of 241.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(phenylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 1480671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).