N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide

C11H17N3OS — CID 47197239

IUPACN-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-9-8-12-10(16-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyJZKDORMLKCUVQJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.86
Rot. Bonds1

About N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide (PubChem CID 47197239) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
PubChem CID47197239
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-9-8-12-10(16-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyJZKDORMLKCUVQJ-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71986290
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 86631926
1-(5-Methyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116653775
1-(Azepan-1-yl)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-1-one
CID 133523031
1-[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-pentylurea
CID 168278471
1,1-Dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11255707
1,1-Bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11291027
1-(1-Methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11586909
(5-Methyl-1,3-thiazol-2-yl)urea
CID 16789902
N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.2.2]nonane-3-carboxamide
CID 22559470

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide (CID 47197239) is N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide is Cc1cnc(NC(=O)N2CCCCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide?
The InChIKey is JZKDORMLKCUVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-8-12-10(16-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 47197239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).