N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H16ClN3OS — CID 45217078

IUPACN-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC(C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C16H16ClN3OS/c1-3-10(2)18-15(21)14-9-22-16-19-13(8-20(14)16)11-6-4-5-7-12(11)17/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyJCPZEQRAROCUOQ-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.24
Rot. Bonds4

About N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45217078) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45217078
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC NameN-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC(C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C16H16ClN3OS/c1-3-10(2)18-15(21)14-9-22-16-19-13(8-20(14)16)11-6-4-5-7-12(11)17/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyJCPZEQRAROCUOQ-UHFFFAOYSA-N
XLogP4.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45206173
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42596719
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45184945
6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290409
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45217078) is N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCC(C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12.
What is the InChIKey of N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JCPZEQRAROCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-3-10(2)18-15(21)14-9-22-16-19-13(8-20(14)16)11-6-4-5-7-12(11)17/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 333.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45217078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).