3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine

C13H22N2S — CID 115907245

IUPAC3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
SMILESCC1CCCC(NC(C)(C)c2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-10-5-4-6-11(9-10)15-13(2,3)12-14-7-8-16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeySBMGFVRBEQGOAS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds3

About 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine

3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 115907245) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID115907245
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
SMILESCC1CCCC(NC(C)(C)c2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-10-5-4-6-11(9-10)15-13(2,3)12-14-7-8-16-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeySBMGFVRBEQGOAS-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 61334262
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
N-(2-cyclopropylpropan-2-yl)-3-methylcyclohexan-1-amine
CID 103923064
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114179100
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103952729
1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 136512712
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309
N,3-dimethylcyclohexan-1-amine
CID 16771259

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine (CID 115907245) is 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine is CC1CCCC(NC(C)(C)c2nccs2)C1.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is SBMGFVRBEQGOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-4-6-11(9-10)15-13(2,3)12-14-7-8-16-12/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine?
3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 115907245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).