4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine

C14H15ClN2S — CID 11550876

IUPAC4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccc(Cl)cc3)CCCC2)cs1
InChIInChI=1S/C14H15ClN2S/c15-11-5-3-10(4-6-11)14(7-1-2-8-14)12-9-18-13(16)17-12/h3-6,9H,1-2,7-8H2,(H2,16,17)
InChIKeyXPFGLSFZHFEJTJ-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.24
Rot. Bonds2

About 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine

4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine (PubChem CID 11550876) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine
PubChem CID11550876
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccc(Cl)cc3)CCCC2)cs1
InChIInChI=1S/C14H15ClN2S/c15-11-5-3-10(4-6-11)14(7-1-2-8-14)12-9-18-13(16)17-12/h3-6,9H,1-2,7-8H2,(H2,16,17)
InChIKeyXPFGLSFZHFEJTJ-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine (CID 11550876) is 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine is Nc1nc(C2(c3ccc(Cl)cc3)CCCC2)cs1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine?
The InChIKey is XPFGLSFZHFEJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-11-5-3-10(4-6-11)14(7-1-2-8-14)12-9-18-13(16)17-12/h3-6,9H,1-2,7-8H2,(H2,16,17).
What are the key properties of 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine?
4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11550876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).