1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride

C14H16Cl2N2S — CID 120558286

IUPAC1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3cccc(Cl)c3)cs2)CCCC1
InChIInChI=1S/C14H15ClN2S.ClH/c15-11-5-3-4-10(8-11)12-9-18-13(17-12)14(16)6-1-2-7-14;/h3-5,8-9H,1-2,6-7,16H2;1H
InChIKeyCZLHYKZINJGBLR-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.61
Rot. Bonds2

About 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride

1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120558286) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120558286
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3cccc(Cl)c3)cs2)CCCC1
InChIInChI=1S/C14H15ClN2S.ClH/c15-11-5-3-4-10(8-11)12-9-18-13(17-12)14(16)6-1-2-7-14;/h3-5,8-9H,1-2,6-7,16H2;1H
InChIKeyCZLHYKZINJGBLR-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 62915540
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61337663
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride (CID 120558286) is 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2nc(-c3cccc(Cl)c3)cs2)CCCC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CZLHYKZINJGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S.ClH/c15-11-5-3-4-10(8-11)12-9-18-13(17-12)14(16)6-1-2-7-14;/h3-5,8-9H,1-2,6-7,16H2;1H.
What are the key properties of 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride?
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 315.27 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120558286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).