N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide

C20H18N4O4S — CID 155548239

IUPACN-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
SMILESCOc1cc(-c2nc3ccc(NC(=O)c4cccs4)cn3n2)cc(OC)c1OC
InChIInChI=1S/C20H18N4O4S/c1-26-14-9-12(10-15(27-2)18(14)28-3)19-22-17-7-6-13(11-24(17)23-19)21-20(25)16-5-4-8-29-16/h4-11H,1-3H3,(H,21,25)
InChIKeyYQMCEDDBZFNIJW-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide

N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide (PubChem CID 155548239) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
PubChem CID155548239
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
SMILESCOc1cc(-c2nc3ccc(NC(=O)c4cccs4)cn3n2)cc(OC)c1OC
InChIInChI=1S/C20H18N4O4S/c1-26-14-9-12(10-15(27-2)18(14)28-3)19-22-17-7-6-13(11-24(17)23-19)21-20(25)16-5-4-8-29-16/h4-11H,1-3H3,(H,21,25)
InChIKeyYQMCEDDBZFNIJW-UHFFFAOYSA-N
XLogP3.74
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 3143413
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-(2-bromo-3-methylimidazo[1,2-a]pyridin-6-yl)thiophene-2-carboxamide
CID 115268770
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide
CID 51708860
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
methyl N-[6-(thiophene-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 10357541
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4317842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide (CID 155548239) is N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide is COc1cc(-c2nc3ccc(NC(=O)c4cccs4)cn3n2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The InChIKey is YQMCEDDBZFNIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-26-14-9-12(10-15(27-2)18(14)28-3)19-22-17-7-6-13(11-24(17)23-19)21-20(25)16-5-4-8-29-16/h4-11H,1-3H3,(H,21,25).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 155548239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).