N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide

C12H19N3OS — CID 110386309

IUPACN-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8-10(17-12(13-2)14-8)11(16)15-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXYODEVQCOUIZLK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds3

About N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide

N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 110386309) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID110386309
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8-10(17-12(13-2)14-8)11(16)15-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXYODEVQCOUIZLK-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 16944752
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 110386309) is N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(C)c(C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is XYODEVQCOUIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-10(17-12(13-2)14-8)11(16)15-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).