1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine

C13H22N2S — CID 61332631

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-11-5-7-13(14,8-6-11)12-15-10(2)9-16-12/h9,11H,3-8,14H2,1-2H3
InChIKeyPSSJEOFPNZWYCC-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine

1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 61332631) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine
PubChem CID61332631
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-11-5-7-13(14,8-6-11)12-15-10(2)9-16-12/h9,11H,3-8,14H2,1-2H3
InChIKeyPSSJEOFPNZWYCC-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
CID 65088642
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62040434
1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61332240
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 80699456
1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65077391
1-(6-methyl-3-pyridinyl)-4-propylcyclohexan-1-amine
CID 63156082
1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
CID 61338835
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
CID 63540876

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine (CID 61332631) is 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2nc(C)cs2)CC1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is PSSJEOFPNZWYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-4-11-5-7-13(14,8-6-11)12-15-10(2)9-16-12/h9,11H,3-8,14H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61332631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).