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

C11H18N2S — CID 58902693

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)13-8-11-12-6-7-14-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyNUYBMVPPPCYDKZ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.81
Rot. Bonds3

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

4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 58902693) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID58902693
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)13-8-11-12-6-7-14-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyNUYBMVPPPCYDKZ-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.81
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
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 130519810
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
4-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxamide
CID 61283472
3-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 64923336
N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825179
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
tert-butyl 5-(1,3-thiazol-2-ylmethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 126818908

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (CID 58902693) is 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2nccs2)CC1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is NUYBMVPPPCYDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)13-8-11-12-6-7-14-11/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 58902693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).