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

C10H15ClN2S — CID 47137464

IUPAC2-chloro-N-cycloheptyl-1,3-thiazol-4-amine
SMILESClc1nc(NC2CCCCCC2)cs1
InChIInChI=1S/C10H15ClN2S/c11-10-13-9(7-14-10)12-8-5-3-1-2-4-6-8/h7-8,12H,1-6H2
InChIKeySNPQTQMRKVQKMK-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.93
Rot. Bonds2

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

2-chloro-N-cycloheptyl-1,3-thiazol-4-amine (PubChem CID 47137464) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-1,3-thiazol-4-amine
PubChem CID47137464
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-cycloheptyl-1,3-thiazol-4-amine
SMILESClc1nc(NC2CCCCCC2)cs1
InChIInChI=1S/C10H15ClN2S/c11-10-13-9(7-14-10)12-8-5-3-1-2-4-6-8/h7-8,12H,1-6H2
InChIKeySNPQTQMRKVQKMK-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-cyclohexylaminothiazole
CID 129795213
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-(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
N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine
CID 67833541
2-bromo-N-pentyl-1,3-thiazol-4-amine
CID 70578274
N-pentyl-1,3-thiazol-4-amine
CID 70581319
N-hexyl-4-(methylideneamino)-1,3-thiazol-2-amine
CID 88452178
N-decyl-2-methyl-1,3-thiazol-4-amine
CID 150937777
2-methyl-N-nonyl-1,3-thiazol-4-amine
CID 152613568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine (CID 47137464) is 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine is Clc1nc(NC2CCCCCC2)cs1.
What is the InChIKey of 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine?
The InChIKey is SNPQTQMRKVQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-10-13-9(7-14-10)12-8-5-3-1-2-4-6-8/h7-8,12H,1-6H2.
What are the key properties of 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine?
2-chloro-N-cycloheptyl-1,3-thiazol-4-amine has a molecular weight of 230.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-1,3-thiazol-4-amine is sourced from PubChem (CID 47137464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).