N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C13H12N4O2S — CID 110851657

IUPACN-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3ncsc3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-19-10-4-2-9(3-5-10)6-14-12(18)11-7-17-13(16-11)20-8-15-17/h2-5,7-8H,6H2,1H3,(H,14,18)
InChIKeyIYCBTFAKFCPCEM-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.73
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110851657) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110851657
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3ncsc3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-19-10-4-2-9(3-5-10)6-14-12(18)11-7-17-13(16-11)20-8-15-17/h2-5,7-8H,6H2,1H3,(H,14,18)
InChIKeyIYCBTFAKFCPCEM-UHFFFAOYSA-N
XLogP1.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-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

N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851656
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158291
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110851657) is N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is COc1ccc(CNC(=O)c2cn3ncsc3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is IYCBTFAKFCPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-19-10-4-2-9(3-5-10)6-14-12(18)11-7-17-13(16-11)20-8-15-17/h2-5,7-8H,6H2,1H3,(H,14,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110851657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).