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

C13H11ClN4OS — CID 110856224

IUPACN-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cn2ncsc2n1
InChIInChI=1S/C13H11ClN4OS/c14-10-3-1-2-9(6-10)4-5-15-12(19)11-7-18-13(17-11)20-8-16-18/h1-3,6-8H,4-5H2,(H,15,19)
InChIKeyMDKVVECRUXQBCY-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.42
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110856224) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110856224
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC NameN-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cn2ncsc2n1
InChIInChI=1S/C13H11ClN4OS/c14-10-3-1-2-9(6-10)4-5-15-12(19)11-7-18-13(17-11)20-8-16-18/h1-3,6-8H,4-5H2,(H,15,19)
InChIKeyMDKVVECRUXQBCY-UHFFFAOYSA-N
XLogP2.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
6-(3-chlorophenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876507
2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91408257
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
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-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110856224) is N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cn2ncsc2n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is MDKVVECRUXQBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-10-3-1-2-9(6-10)4-5-15-12(19)11-7-18-13(17-11)20-8-16-18/h1-3,6-8H,4-5H2,(H,15,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110856224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).