5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide

C15H16FN5OS2 — CID 154844315

IUPAC5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1sc2ccc(F)cc2c1C)c1nn[nH]n1
InChIInChI=1S/C15H16FN5OS2/c1-8-10-7-9(16)3-4-12(10)24-13(8)15(22)17-11(5-6-23-2)14-18-20-21-19-14/h3-4,7,11H,5-6H2,1-2H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1
InChIKeyKNRQPPMYKJNCIW-NSHDSACASA-N
MW365.46 g/mol
LogP3.09
Rot. Bonds6

About 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide

5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide (PubChem CID 154844315) has the molecular formula C15H16FN5OS2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
PubChem CID154844315
Molecular FormulaC15H16FN5OS2
Molecular Weight365.46 g/mol
Exact Mass365.08
IUPAC Name5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1sc2ccc(F)cc2c1C)c1nn[nH]n1
InChIInChI=1S/C15H16FN5OS2/c1-8-10-7-9(16)3-4-12(10)24-13(8)15(22)17-11(5-6-23-2)14-18-20-21-19-14/h3-4,7,11H,5-6H2,1-2H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1
InChIKeyKNRQPPMYKJNCIW-NSHDSACASA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide (CID 154844315) is 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide is CSCC[C@H](NC(=O)c1sc2ccc(F)cc2c1C)c1nn[nH]n1.
What is the InChIKey of 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KNRQPPMYKJNCIW-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FN5OS2/c1-8-10-7-9(16)3-4-12(10)24-13(8)15(22)17-11(5-6-23-2)14-18-20-21-19-14/h3-4,7,11H,5-6H2,1-2H3,(H,17,22)(H,18,19,20,21)/t11-/m0/s1.
What are the key properties of 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide?
5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[(1S)-3-methylsulfanyl-1-(2H-tetrazol-5-yl)propyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 154844315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).