N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C17H17N5OS — CID 122138815

IUPACN-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCn1cnc(-c2cccc(NC(=O)N3CCc4sccc4C3)c2)n1
InChIInChI=1S/C17H17N5OS/c1-21-11-18-16(20-21)12-3-2-4-14(9-12)19-17(23)22-7-5-15-13(10-22)6-8-24-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,23)
InChIKeyFDGNFDHNGJLHFL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.13
Rot. Bonds2

About N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 122138815) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID122138815
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCn1cnc(-c2cccc(NC(=O)N3CCc4sccc4C3)c2)n1
InChIInChI=1S/C17H17N5OS/c1-21-11-18-16(20-21)12-3-2-4-14(9-12)19-17(23)22-7-5-15-13(10-22)6-8-24-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,23)
InChIKeyFDGNFDHNGJLHFL-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 99715599
N-[6-(diethylamino)-3-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498715
N-(4-sulfamoylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24651018
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 136522591
3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 33301260
methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate
CID 4997667
N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 72927590
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
CID 55902295
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 122138815) is N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cn1cnc(-c2cccc(NC(=O)N3CCc4sccc4C3)c2)n1.
What is the InChIKey of N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is FDGNFDHNGJLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21-11-18-16(20-21)12-3-2-4-14(9-12)19-17(23)22-7-5-15-13(10-22)6-8-24-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,19,23).
What are the key properties of N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 122138815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).