N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide

C13H20N2OS — CID 167514149

IUPACN-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide
SMILESCCc1snc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C13H20N2OS/c1-3-11-9(2)12(15-17-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyROCLAVPVQMCBJG-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.08
Rot. Bonds3

About N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide

N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide (PubChem CID 167514149) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide
PubChem CID167514149
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide
SMILESCCc1snc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C13H20N2OS/c1-3-11-9(2)12(15-17-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyROCLAVPVQMCBJG-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
CID 155155071
ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
CID 155701893
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
3-ethyl-4-methyl-N-propan-2-yl-1,2-thiazole-5-carboxamide
CID 21616753
N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 135128202
N-methyl-4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridine-3-carboxamide
CID 139310892
N-piperidin-3-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 145256402
N-piperidin-4-yl-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 145256407
5-ethenyl-N-propan-2-yl-4-[(Z)-prop-1-enyl]-1,2-thiazole-3-carboxamide
CID 169809848
N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide;molecular hydrogen
CID 176998134
ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 176998344
N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen
CID 176998826

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide (CID 167514149) is N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide is CCc1snc(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is ROCLAVPVQMCBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-11-9(2)12(15-17-11)13(16)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide?
N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-ethyl-4-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 167514149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).