N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H18N2OS — CID 54140578

IUPACN-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-9-11(16-8-14-9)12(15)13-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyXDHRSSPMZLTMFD-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.76
Rot. Bonds3

About N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54140578) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54140578
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-9-11(16-8-14-9)12(15)13-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyXDHRSSPMZLTMFD-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 45823033
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
1-(4-Methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxamide
CID 45819410
Azepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823036
4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 45823337
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47210198
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448899

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 54140578) is N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XDHRSSPMZLTMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-11(16-8-14-9)12(15)13-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54140578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).