3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide

C15H18FN5O2S — CID 154855923

IUPAC3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide
SMILESO=C(CCCc1cn[nH]n1)NC1CC(NC(=O)c2sccc2F)C1
InChIInChI=1S/C15H18FN5O2S/c16-12-4-5-24-14(12)15(23)19-11-6-10(7-11)18-13(22)3-1-2-9-8-17-21-20-9/h4-5,8,10-11H,1-3,6-7H2,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyNMIYFXJUHQXYEV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.41
Rot. Bonds7

About 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide

3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide (PubChem CID 154855923) has the molecular formula C15H18FN5O2S and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide
PubChem CID154855923
Molecular FormulaC15H18FN5O2S
Molecular Weight351.41 g/mol
Exact Mass351.12
IUPAC Name3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide
SMILESO=C(CCCc1cn[nH]n1)NC1CC(NC(=O)c2sccc2F)C1
InChIInChI=1S/C15H18FN5O2S/c16-12-4-5-24-14(12)15(23)19-11-6-10(7-11)18-13(22)3-1-2-9-8-17-21-20-9/h4-5,8,10-11H,1-3,6-7H2,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyNMIYFXJUHQXYEV-UHFFFAOYSA-N
XLogP1.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2H-triazol-4-yl)butanoylamino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 90219240
N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide
CID 158231246
2-(3,5-dichlorophenyl)ethyl 4-[4-(2H-triazol-4-yl)butanoylamino]piperidine-1-carboxylate
CID 90218960
N-[1-[2-(3-chloro-5-methylphenoxy)acetyl]piperidin-4-yl]-4-(2H-triazol-4-yl)butanamide
CID 90224677
tert-butyl 4-[6-(2H-triazol-4-yl)hexanoylamino]piperidine-1-carboxylate;N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
CID 90219206
1-(3-fluorothiophen-2-yl)butane-1,3-dione
CID 174590149
[1-[4-(2H-triazol-4-yl)butanoyl]azepan-4-yl]carbamic acid
CID 90219006
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
CID 90226741
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-5-(2H-triazol-4-yl)pentanamide
CID 75509485
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide (CID 154855923) is 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide is O=C(CCCc1cn[nH]n1)NC1CC(NC(=O)c2sccc2F)C1.
What is the InChIKey of 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide?
The InChIKey is NMIYFXJUHQXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S/c16-12-4-5-24-14(12)15(23)19-11-6-10(7-11)18-13(22)3-1-2-9-8-17-21-20-9/h4-5,8,10-11H,1-3,6-7H2,(H,18,22)(H,19,23)(H,17,20,21).
What are the key properties of 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide?
3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 154855923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).