1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C17H22N2S — CID 61336894

IUPAC1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCC(C)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)13-5-7-14(8-6-13)15-11-20-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyVRRQVYNHAZADAU-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.66
Rot. Bonds3

About 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 61336894) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID61336894
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCC(C)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)13-5-7-14(8-6-13)15-11-20-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyVRRQVYNHAZADAU-UHFFFAOYSA-N
XLogP4.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
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-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338658
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 62915540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 61336894) is 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is CC(C)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is VRRQVYNHAZADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12(2)13-5-7-14(8-6-13)15-11-20-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3.
What are the key properties of 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 61336894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).