4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide

C13H19N3O2S — CID 47210198

IUPAC4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C13H19N3O2S/c1-10-12(19-9-15-10)13(18)14-6-8-16-7-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyUSXXIFGFRMXYBH-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47210198) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47210198
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C13H19N3O2S/c1-10-12(19-9-15-10)13(18)14-6-8-16-7-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyUSXXIFGFRMXYBH-UHFFFAOYSA-N
XLogP1.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71667381
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
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
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
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
tert-butyl N-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]carbamate
CID 47453269
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 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 47210198) is 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is USXXIFGFRMXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10-12(19-9-15-10)13(18)14-6-8-16-7-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,14,18).
What are the key properties of 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47210198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).