N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide

C12H19N3OS — CID 114031291

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cncs1)C1CCCCC1CN
InChIInChI=1S/C12H19N3OS/c1-15(12(16)11-7-14-8-17-11)10-5-3-2-4-9(10)6-13/h7-10H,2-6,13H2,1H3
InChIKeySBHOKPFICVPCEV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.73
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide

N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 114031291) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID114031291
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cncs1)C1CCCCC1CN
InChIInChI=1S/C12H19N3OS/c1-15(12(16)11-7-14-8-17-11)10-5-3-2-4-9(10)6-13/h7-10H,2-6,13H2,1H3
InChIKeySBHOKPFICVPCEV-UHFFFAOYSA-N
XLogP1.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107963621
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
CID 79160948
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 114031291) is N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(C(=O)c1cncs1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SBHOKPFICVPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15(12(16)11-7-14-8-17-11)10-5-3-2-4-9(10)6-13/h7-10H,2-6,13H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).