N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide

C13H9F2N5OS — CID 18565774

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C13H9F2N5OS/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21)
InChIKeyTWMUDUZLHQQWNC-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 18565774) has the molecular formula C13H9F2N5OS and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID18565774
Molecular FormulaC13H9F2N5OS
Molecular Weight321.31 g/mol
Exact Mass321.05
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C13H9F2N5OS/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21)
InChIKeyTWMUDUZLHQQWNC-UHFFFAOYSA-N
XLogP1.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide (CID 18565774) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccs1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is TWMUDUZLHQQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5OS/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18565774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).