2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole

C8H7ClN2S3 — CID 130758456

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(Sc2nc(Cl)cs2)n1
InChIInChI=1S/C8H7ClN2S3/c1-2-5-3-12-7(10-5)14-8-11-6(9)4-13-8/h3-4H,2H2,1H3
InChIKeyGLQZGMBHICHLOS-UHFFFAOYSA-N
MW262.81 g/mol
LogP3.97
Rot. Bonds3

About 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole (PubChem CID 130758456) has the molecular formula C8H7ClN2S3 and a molecular weight of 262.81 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole
PubChem CID130758456
Molecular FormulaC8H7ClN2S3
Molecular Weight262.81 g/mol
Exact Mass261.95
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(Sc2nc(Cl)cs2)n1
InChIInChI=1S/C8H7ClN2S3/c1-2-5-3-12-7(10-5)14-8-11-6(9)4-13-8/h3-4H,2H2,1H3
InChIKeyGLQZGMBHICHLOS-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole
CID 130992507
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 83155650
4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
CID 83155527
4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
CID 83156010
2-(3-chloro-2-methylpropyl)sulfanyl-4-ethyl-1,3-thiazole
CID 66106004
4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole
CID 146205158
3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 83157118
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide
CID 130489940
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]propanoic acid
CID 83152873
3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]-4-fluorobenzoic acid
CID 80557010

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole (CID 130758456) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole is CCc1csc(Sc2nc(Cl)cs2)n1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole?
The InChIKey is GLQZGMBHICHLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S3/c1-2-5-3-12-7(10-5)14-8-11-6(9)4-13-8/h3-4H,2H2,1H3.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole has a molecular weight of 262.81 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole is sourced from PubChem (CID 130758456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).