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

C12H7N5OS — CID 110864985

IUPACN-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn3ncsc3n2)cc1
InChIInChI=1S/C12H7N5OS/c13-5-8-1-3-9(4-2-8)15-11(18)10-6-17-12(16-10)19-7-14-17/h1-4,6-7H,(H,15,18)
InChIKeyGSDRMMLLQHLHEC-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.91
Rot. Bonds2

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

N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110864985) has the molecular formula C12H7N5OS and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110864985
Molecular FormulaC12H7N5OS
Molecular Weight269.29 g/mol
Exact Mass269.04
IUPAC NameN-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn3ncsc3n2)cc1
InChIInChI=1S/C12H7N5OS/c13-5-8-1-3-9(4-2-8)15-11(18)10-6-17-12(16-10)19-7-14-17/h1-4,6-7H,(H,15,18)
InChIKeyGSDRMMLLQHLHEC-UHFFFAOYSA-N
XLogP1.91
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyanophenyl)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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858720
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830667
2-[4-[(4-cyanophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66291029
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110864985) is N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is N#Cc1ccc(NC(=O)c2cn3ncsc3n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is GSDRMMLLQHLHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5OS/c13-5-8-1-3-9(4-2-8)15-11(18)10-6-17-12(16-10)19-7-14-17/h1-4,6-7H,(H,15,18).
What are the key properties of N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110864985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).