thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone

C13H14N4OS — CID 74234300

IUPACthiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCSCC1
InChIInChI=1S/C13H14N4OS/c18-13(16-5-7-19-8-6-16)11-3-1-2-4-12(11)17-9-14-15-10-17/h1-4,9-10H,5-8H2
InChIKeyNVPFXYCQKBSUOJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.46
Rot. Bonds2

About thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone

thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 74234300) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID74234300
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Namethiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCSCC1
InChIInChI=1S/C13H14N4OS/c18-13(16-5-7-19-8-6-16)11-3-1-2-4-12(11)17-9-14-15-10-17/h1-4,9-10H,5-8H2
InChIKeyNVPFXYCQKBSUOJ-UHFFFAOYSA-N
XLogP1.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
(2-chlorophenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122331936
8a-ethyl-7-[2-(1,2,4-triazol-4-yl)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044891
[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 166621585
(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
CID 55868160
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
CID 62650571
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone (CID 74234300) is thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccccc1-n1cnnc1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is NVPFXYCQKBSUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13(16-5-7-19-8-6-16)11-3-1-2-4-12(11)17-9-14-15-10-17/h1-4,9-10H,5-8H2.
What are the key properties of thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 274.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 74234300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).