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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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).