4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

C11H18N2S — CID 79823883

IUPAC4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-11(12,5-3-9)8-10-13-6-7-14-10/h6-7,9H,2-5,8,12H2,1H3
InChIKeyBXVQQTCOPQYMRR-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 79823883) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID79823883
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-11(12,5-3-9)8-10-13-6-7-14-10/h6-7,9H,2-5,8,12H2,1H3
InChIKeyBXVQQTCOPQYMRR-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
CID 130646206
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824548
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
CID 79951477
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563874
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
2-[[(2R)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 129465864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (CID 79823883) is 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is CC1CCC(N)(Cc2nccs2)CC1.
What is the InChIKey of 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is BXVQQTCOPQYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-2-4-11(12,5-3-9)8-10-13-6-7-14-10/h6-7,9H,2-5,8,12H2,1H3.
What are the key properties of 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79823883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).