3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine

C13H22N2S — CID 116888466

IUPAC3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1csc(C2CCCC2)n1
InChIInChI=1S/C13H22N2S/c1-13(2,7-8-14)11-9-16-12(15-11)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3
InChIKeyXBICYVBFXHSGGU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.43
Rot. Bonds4

About 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine

3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine (PubChem CID 116888466) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
PubChem CID116888466
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1csc(C2CCCC2)n1
InChIInChI=1S/C13H22N2S/c1-13(2,7-8-14)11-9-16-12(15-11)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3
InChIKeyXBICYVBFXHSGGU-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888471
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
CID 116890193
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509
3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888443
4-(4-cyclohexyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 116965467
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
CID 121449499
4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
CID 116965480
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine (CID 116888466) is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine is CC(C)(CCN)c1csc(C2CCCC2)n1.
What is the InChIKey of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine?
The InChIKey is XBICYVBFXHSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(2,7-8-14)11-9-16-12(15-11)10-5-3-4-6-10/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine?
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).