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

C12H20N2S — CID 116888387

IUPAC3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1csc(C2CCCC2)n1
InChIInChI=1S/C12H20N2S/c1-9(7-13)6-11-8-15-12(14-11)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3
InChIKeyNLOCWPCSUBTRKY-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.94
Rot. Bonds4

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

3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine (PubChem CID 116888387) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
PubChem CID116888387
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1csc(C2CCCC2)n1
InChIInChI=1S/C12H20N2S/c1-9(7-13)6-11-8-15-12(14-11)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3
InChIKeyNLOCWPCSUBTRKY-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088298
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine (CID 116888387) is 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine is CC(CN)Cc1csc(C2CCCC2)n1.
What is the InChIKey of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine?
The InChIKey is NLOCWPCSUBTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(7-13)6-11-8-15-12(14-11)10-4-2-3-5-10/h8-10H,2-7,13H2,1H3.
What are the key properties of 3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine?
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.94, 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)-2-methylpropan-1-amine is sourced from PubChem (CID 116888387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).