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

C13H17N5OS — CID 72927590

IUPACN-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCc3sccc3C2)nn1
InChIInChI=1S/C13H17N5OS/c1-9(2)18-8-12(15-16-18)14-13(19)17-5-3-11-10(7-17)4-6-20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)
InChIKeyVCQQQUPCZSYUNJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.51
Rot. Bonds2

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

N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 72927590) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID72927590
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCc3sccc3C2)nn1
InChIInChI=1S/C13H17N5OS/c1-9(2)18-8-12(15-16-18)14-13(19)17-5-3-11-10(7-17)4-6-20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)
InChIKeyVCQQQUPCZSYUNJ-UHFFFAOYSA-N
XLogP2.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

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Related Compounds

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103927461
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-3-hydroxybutanoic acid
CID 61187266
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084695
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 42934643
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
CID 62249906
N-(4-sulfamoylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24651018

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 72927590) is N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(C)n1cc(NC(=O)N2CCc3sccc3C2)nn1.
What is the InChIKey of N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is VCQQQUPCZSYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(2)18-8-12(15-16-18)14-13(19)17-5-3-11-10(7-17)4-6-20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19).
What are the key properties of N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 72927590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).