2-chloro-N-cyclohexyl-1,3-thiazol-4-amine

C9H13ClN2S — CID 47137503

IUPAC2-chloro-N-cyclohexyl-1,3-thiazol-4-amine
SMILESClc1nc(NC2CCCCC2)cs1
InChIInChI=1S/C9H13ClN2S/c10-9-12-8(6-13-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2
InChIKeySZTYGPOUXZEAKD-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine

2-chloro-N-cyclohexyl-1,3-thiazol-4-amine (PubChem CID 47137503) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-1,3-thiazol-4-amine
PubChem CID47137503
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-chloro-N-cyclohexyl-1,3-thiazol-4-amine
SMILESClc1nc(NC2CCCCC2)cs1
InChIInChI=1S/C9H13ClN2S/c10-9-12-8(6-13-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2
InChIKeySZTYGPOUXZEAKD-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Piperidinyl)-1,3-Thiazol-4-Amine
CID 17490804
Thiazolium, 2-(cyclohexylamino)-3-cyclohexyl-, chloride
CID 3057292
2-(Piperidin-1-yl)-1,3-thiazol-4-amine hydrochloride
CID 17490803
4-fluoro-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 59323572
2-Amino-4-cyclohexylaminothiazole
CID 129795213
N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine
CID 3057293
2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine
CID 127004580
2-chloro-N-[(1-fluorocyclobutyl)methyl]-1,3-thiazol-4-amine
CID 130650570
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
CID 130654011
2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine
CID 130678892
2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine
CID 130688681
2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine
CID 131038137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine (CID 47137503) is 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine is Clc1nc(NC2CCCCC2)cs1.
What is the InChIKey of 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine?
The InChIKey is SZTYGPOUXZEAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c10-9-12-8(6-13-9)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2.
What are the key properties of 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine?
2-chloro-N-cyclohexyl-1,3-thiazol-4-amine has a molecular weight of 216.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-1,3-thiazol-4-amine is sourced from PubChem (CID 47137503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).