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

C13H21N3OS — CID 71867664

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17)
InChIKeyBBBNJHCYVLPEIO-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.79
Rot. Bonds3

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide (PubChem CID 71867664) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
PubChem CID71867664
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17)
InChIKeyBBBNJHCYVLPEIO-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 113246126
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71867667
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119139825
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 138022873
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 138992824
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide (CID 71867664) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide is CCc1cnc(CNC(=O)N2CCCCCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide?
The InChIKey is BBBNJHCYVLPEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-11-9-14-12(18-11)10-15-13(17)16-7-5-3-4-6-8-16/h9H,2-8,10H2,1H3,(H,15,17).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 71867664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).