N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C12H20N2S — CID 103753051

IUPACN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC1(CNCc2cscn2)CCCCC1
InChIInChI=1S/C12H20N2S/c1-12(5-3-2-4-6-12)9-13-7-11-8-15-10-14-11/h8,10,13H,2-7,9H2,1H3
InChIKeyPTUHCXNPGLFBQQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.20
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 103753051) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID103753051
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC1(CNCc2cscn2)CCCCC1
InChIInChI=1S/C12H20N2S/c1-12(5-3-2-4-6-12)9-13-7-11-8-15-10-14-11/h8,10,13H,2-7,9H2,1H3
InChIKeyPTUHCXNPGLFBQQ-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 64553638
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
[1-(1,3-thiazol-4-ylmethylamino)cyclohexyl]methanol
CID 62521702
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 113255341
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 103753051) is N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is CC1(CNCc2cscn2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is PTUHCXNPGLFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(5-3-2-4-6-12)9-13-7-11-8-15-10-14-11/h8,10,13H,2-7,9H2,1H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 103753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).