N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide

C12H19N3OS — CID 64570760

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(12-14-7-8-17-12)15-11(16)10-5-3-2-4-6-13-10/h7-10,13H,2-6H2,1H3,(H,15,16)
InChIKeyWYIZVZOWOOLTGT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.85
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide

N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide (PubChem CID 64570760) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
PubChem CID64570760
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(12-14-7-8-17-12)15-11(16)10-5-3-2-4-6-13-10/h7-10,13H,2-6H2,1H3,(H,15,16)
InChIKeyWYIZVZOWOOLTGT-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
N-[1-(1,3-thiazol-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82915947
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
N-(1-thiophen-3-ylethyl)piperidine-2-carboxamide
CID 62842811
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914790

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide (CID 64570760) is N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide is CC(NC(=O)C1CCCCCN1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide?
The InChIKey is WYIZVZOWOOLTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(12-14-7-8-17-12)15-11(16)10-5-3-2-4-6-13-10/h7-10,13H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide?
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64570760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).