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

C14H14FN5O2S — CID 17455194

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CSc1nncn1C1CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FN5O2S/c15-10-3-1-2-4-11(10)17-13(22)18-12(21)7-23-14-19-16-8-20(14)9-5-6-9/h1-4,8-9H,5-7H2,(H2,17,18,21,22)
InChIKeyFCVMGKSHTFPNPV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.19
Rot. Bonds5

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

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 17455194) has the molecular formula C14H14FN5O2S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID17455194
Molecular FormulaC14H14FN5O2S
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(CSc1nncn1C1CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FN5O2S/c15-10-3-1-2-4-11(10)17-13(22)18-12(21)7-23-14-19-16-8-20(14)9-5-6-9/h1-4,8-9H,5-7H2,(H2,17,18,21,22)
InChIKeyFCVMGKSHTFPNPV-UHFFFAOYSA-N
XLogP2.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 16581126
N-[(2-fluorophenyl)carbamoyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17391062
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 51297535
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 51318240
N-cyclopentyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42122810
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24619093
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
CID 43417624
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-hydroxycyclohexyl)acetamide
CID 43394599
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 17426975
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 24600701
5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43474455
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17455496

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 17455194) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide is O=C(CSc1nncn1C1CC1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is FCVMGKSHTFPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2S/c15-10-3-1-2-4-11(10)17-13(22)18-12(21)7-23-14-19-16-8-20(14)9-5-6-9/h1-4,8-9H,5-7H2,(H2,17,18,21,22).
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 17455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).