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

C11H7ClN4OS — CID 110858903

IUPACN-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn2ncsc2n1
InChIInChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(4-7)14-10(17)9-5-16-11(15-9)18-6-13-16/h1-6H,(H,14,17)
InChIKeyTZIRMXWRUZFGAT-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.70
Rot. Bonds2

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

N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110858903) has the molecular formula C11H7ClN4OS and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110858903
Molecular FormulaC11H7ClN4OS
Molecular Weight278.72 g/mol
Exact Mass278.00
IUPAC NameN-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn2ncsc2n1
InChIInChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(4-7)14-10(17)9-5-16-11(15-9)18-6-13-16/h1-6H,(H,14,17)
InChIKeyTZIRMXWRUZFGAT-UHFFFAOYSA-N
XLogP2.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110856224
N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857504
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723677
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697628
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide
CID 127038352
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110858903) is N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1cn2ncsc2n1.
What is the InChIKey of N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is TZIRMXWRUZFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(4-7)14-10(17)9-5-16-11(15-9)18-6-13-16/h1-6H,(H,14,17).
What are the key properties of N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110858903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).