4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

C16H21N3S — CID 61338645

IUPAC4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C16H21N3S/c1-2-12-6-8-16(17,9-7-12)15-19-14(11-20-15)13-5-3-4-10-18-13/h3-5,10-12H,2,6-9,17H2,1H3
InChIKeyWVPBGEGEUIIILE-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.96
Rot. Bonds3

About 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 61338645) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID61338645
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C16H21N3S/c1-2-12-6-8-16(17,9-7-12)15-19-14(11-20-15)13-5-3-4-10-18-13/h3-5,10-12H,2,6-9,17H2,1H3
InChIKeyWVPBGEGEUIIILE-UHFFFAOYSA-N
XLogP3.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61337663
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526086
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526231
1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
CID 61338835
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116828962
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile
CID 116967076
4-ethyl-1-quinolin-3-ylcyclohexan-1-amine
CID 54861249
propane;2-pyridin-2-ylpyridine
CID 158168510
4-ethyl-1-naphthalen-2-ylcyclohexan-1-amine
CID 63407775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 61338645) is 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is CCC1CCC(N)(c2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is WVPBGEGEUIIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-12-6-8-16(17,9-7-12)15-19-14(11-20-15)13-5-3-4-10-18-13/h3-5,10-12H,2,6-9,17H2,1H3.
What are the key properties of 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).