N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H27ClN6O2S — CID 119938292

IUPACN-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ncn(CC(=O)N2CCCCCC2)n1
InChIInChI=1S/C16H26N6O2S.ClH/c23-14(9-13-11-25-8-5-17-13)19-16-18-12-22(20-16)10-15(24)21-6-3-1-2-4-7-21;/h12-13,17H,1-11H2,(H,19,20,23);1H
InChIKeyWMTDSGXVXSCAFP-UHFFFAOYSA-N
MW402.95 g/mol
LogP1.14
Rot. Bonds5

About N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938292) has the molecular formula C16H27ClN6O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938292
Molecular FormulaC16H27ClN6O2S
Molecular Weight402.95 g/mol
Exact Mass402.16
IUPAC NameN-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ncn(CC(=O)N2CCCCCC2)n1
InChIInChI=1S/C16H26N6O2S.ClH/c23-14(9-13-11-25-8-5-17-13)19-16-18-12-22(20-16)10-15(24)21-6-3-1-2-4-7-21;/h12-13,17H,1-11H2,(H,19,20,23);1H
InChIKeyWMTDSGXVXSCAFP-UHFFFAOYSA-N
XLogP1.14
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]piperidine-2-carboxamide
CID 119311390
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 119311396
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940371
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119311391
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938292) is N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ncn(CC(=O)N2CCCCCC2)n1.
What is the InChIKey of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is WMTDSGXVXSCAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S.ClH/c23-14(9-13-11-25-8-5-17-13)19-16-18-12-22(20-16)10-15(24)21-6-3-1-2-4-7-21;/h12-13,17H,1-11H2,(H,19,20,23);1H.
What are the key properties of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).