2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

C12H20N2S — CID 43183514

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)cs1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-12(9)13-7-11-8-15-10(2)14-11/h8-9,12-13H,3-7H2,1-2H3
InChIKeyPANBHYIYMNTPCU-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 43183514) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID43183514
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)cs1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-12(9)13-7-11-8-15-10(2)14-11/h8-9,12-13H,3-7H2,1-2H3
InChIKeyPANBHYIYMNTPCU-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
N-((2-methylthiazol-4-yl)methyl)adamantan-1-amine
CID 28780792
1-methyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 53587517
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 61295888
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313
2-Cyclopropyl-4-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 86796294
cis-(1S,2R)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 137984833
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
CID 164632300
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 171482120
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (CID 43183514) is 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is Cc1nc(CNC2CCCCC2C)cs1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is PANBHYIYMNTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-5-3-4-6-12(9)13-7-11-8-15-10(2)14-11/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43183514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).