2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine

C17H22N2S — CID 82106625

IUPAC2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1cccc(-c2nc(CCN)sc2C2CCCC2)c1
InChIInChI=1S/C17H22N2S/c1-12-5-4-8-14(11-12)16-17(13-6-2-3-7-13)20-15(19-16)9-10-18/h4-5,8,11,13H,2-3,6-7,9-10,18H2,1H3
InChIKeyHTEMQAKXVUBTFW-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.28
Rot. Bonds4

About 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106625) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID82106625
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1cccc(-c2nc(CCN)sc2C2CCCC2)c1
InChIInChI=1S/C17H22N2S/c1-12-5-4-8-14(11-12)16-17(13-6-2-3-7-13)20-15(19-16)9-10-18/h4-5,8,11,13H,2-3,6-7,9-10,18H2,1H3
InChIKeyHTEMQAKXVUBTFW-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
[4-(4-chlorophenyl)-5-cyclopentyl-1,3-thiazol-2-yl]methanamine
CID 82106729
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106833
2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine
CID 62220797
5-cyclohexyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 82106576
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 63867917
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 82069588
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53273092

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 82106625) is 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine is Cc1cccc(-c2nc(CCN)sc2C2CCCC2)c1.
What is the InChIKey of 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is HTEMQAKXVUBTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-5-4-8-14(11-12)16-17(13-6-2-3-7-13)20-15(19-16)9-10-18/h4-5,8,11,13H,2-3,6-7,9-10,18H2,1H3.
What are the key properties of 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).