N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide

C14H17N5OS — CID 82905865

IUPACN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CSCCN1
InChIInChI=1S/C14H17N5OS/c20-14(13-8-21-6-5-16-13)18-12-3-1-11(2-4-12)7-19-10-15-9-17-19/h1-4,9-10,13,16H,5-8H2,(H,18,20)
InChIKeyQUCVBHMPRSGFNY-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.97
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide (PubChem CID 82905865) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
PubChem CID82905865
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CSCCN1
InChIInChI=1S/C14H17N5OS/c20-14(13-8-21-6-5-16-13)18-12-3-1-11(2-4-12)7-19-10-15-9-17-19/h1-4,9-10,13,16H,5-8H2,(H,18,20)
InChIKeyQUCVBHMPRSGFNY-UHFFFAOYSA-N
XLogP0.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide 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

(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiomorpholine-3-carboxamide
CID 82898041
3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17349636
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
3,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]adamantane-1-carboxamide
CID 112819409
5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 86929676
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide (CID 82905865) is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)C1CSCCN1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is QUCVBHMPRSGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-14(13-8-21-6-5-16-13)18-12-3-1-11(2-4-12)7-19-10-15-9-17-19/h1-4,9-10,13,16H,5-8H2,(H,18,20).
What are the key properties of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).