N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H11N5O2S — CID 2662776

IUPACN-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nncn1-c1ccccc1
InChIInChI=1S/C11H11N5O2S/c12-10(18)14-9(17)6-19-11-15-13-7-16(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,14,17,18)
InChIKeyQWBQPBAFXMJLTC-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.55
Rot. Bonds4

About N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2662776) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2662776
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nncn1-c1ccccc1
InChIInChI=1S/C11H11N5O2S/c12-10(18)14-9(17)6-19-11-15-13-7-16(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,14,17,18)
InChIKeyQWBQPBAFXMJLTC-UHFFFAOYSA-N
XLogP0.55
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholinophenyl)acetamide
CID 854128
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
5-(isopropylthio)-4-phenyl-4H-1,2,4-triazol-3-yl N,N-dimethylcarbamate
CID 2743362
6-Amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 9619306
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 16305823
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
2-(6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-phenylacetamide
CID 2955968
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
N-[4-(4H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 4086562

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2662776) is N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)NC(=O)CSc1nncn1-c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QWBQPBAFXMJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-10(18)14-9(17)6-19-11-15-13-7-16(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,14,17,18).
What are the key properties of N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 277.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2662776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).