N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide

C20H17N5O4S — CID 53167469

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3nc(-c4cccnc4)no3)cs2)cc1OC
InChIInChI=1S/C20H17N5O4S/c1-27-15-6-5-12(8-16(15)28-2)9-22-18(26)20-23-14(11-30-20)19-24-17(25-29-19)13-4-3-7-21-10-13/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyYVEUMRRHVQQIPL-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.20
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 53167469) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID53167469
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3nc(-c4cccnc4)no3)cs2)cc1OC
InChIInChI=1S/C20H17N5O4S/c1-27-15-6-5-12(8-16(15)28-2)9-22-18(26)20-23-14(11-30-20)19-24-17(25-29-19)13-4-3-7-21-10-13/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyYVEUMRRHVQQIPL-UHFFFAOYSA-N
XLogP3.20
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-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

Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55499949
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875128
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158355
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55635271

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (CID 53167469) is N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is COc1ccc(CNC(=O)c2nc(-c3nc(-c4cccnc4)no3)cs2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is YVEUMRRHVQQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-27-15-6-5-12(8-16(15)28-2)9-22-18(26)20-23-14(11-30-20)19-24-17(25-29-19)13-4-3-7-21-10-13/h3-8,10-11H,9H2,1-2H3,(H,22,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53167469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).