4-chloro-5-cyclohexyl-1,3-thiazole

C9H12ClNS — CID 175691780

IUPAC4-chloro-5-cyclohexyl-1,3-thiazole
SMILESClc1ncsc1C1CCCCC1
InChIInChI=1S/C9H12ClNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyFSVUZMXIOMVGDK-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.84
Rot. Bonds1

About 4-chloro-5-cyclohexyl-1,3-thiazole

4-chloro-5-cyclohexyl-1,3-thiazole (PubChem CID 175691780) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 4-chloro-5-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-cyclohexyl-1,3-thiazole
PubChem CID175691780
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name4-chloro-5-cyclohexyl-1,3-thiazole
SMILESClc1ncsc1C1CCCCC1
InChIInChI=1S/C9H12ClNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyFSVUZMXIOMVGDK-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 165443550
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CID 165446602
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CID 165446603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclohexyl-1,3-thiazole?
The IUPAC name of 4-chloro-5-cyclohexyl-1,3-thiazole (CID 175691780) is 4-chloro-5-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-cyclohexyl-1,3-thiazole is Clc1ncsc1C1CCCCC1.
What is the InChIKey of 4-chloro-5-cyclohexyl-1,3-thiazole?
The InChIKey is FSVUZMXIOMVGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 4-chloro-5-cyclohexyl-1,3-thiazole?
4-chloro-5-cyclohexyl-1,3-thiazole has a molecular weight of 201.72 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 175691780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).