2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide

C12H14N4O2S — CID 115588518

IUPAC2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2S/c1-8(18-2)11(17)15-9-3-5-10(6-4-9)19-12-13-7-14-16-12/h3-8H,1-2H3,(H,15,17)(H,13,14,16)
InChIKeySUMCYQPKJRXJRX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.93
Rot. Bonds5

About 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide

2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide (PubChem CID 115588518) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
PubChem CID115588518
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2S/c1-8(18-2)11(17)15-9-3-5-10(6-4-9)19-12-13-7-14-16-12/h3-8H,1-2H3,(H,15,17)(H,13,14,16)
InChIKeySUMCYQPKJRXJRX-UHFFFAOYSA-N
XLogP1.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 103928924
2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 43712450
5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
CID 104684120
3-bromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 113385200
N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide
CID 60779860
2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 62831973
2-methoxy-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 115589055
N-(1,1-difluoropropan-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 102868809
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 94210728
(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide (CID 115588518) is 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide is COC(C)C(=O)Nc1ccc(Sc2ncn[nH]2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
The InChIKey is SUMCYQPKJRXJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(18-2)11(17)15-9-3-5-10(6-4-9)19-12-13-7-14-16-12/h3-8H,1-2H3,(H,15,17)(H,13,14,16).
What are the key properties of 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide?
2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 115588518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).