6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H20ClN5OS — CID 45206173

IUPAC6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2csc3nc(-c4ccccc4Cl)cn23)n1
InChIInChI=1S/C20H20ClN5OS/c1-12-8-14(3)26(24-12)9-13(2)22-19(27)18-11-28-20-23-17(10-25(18)20)15-6-4-5-7-16(15)21/h4-8,10-11,13H,9H2,1-3H3,(H,22,27)
InChIKeyIJBYJTCHLUAFBV-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.35
Rot. Bonds5

About 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45206173) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45206173
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC Name6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2csc3nc(-c4ccccc4Cl)cn23)n1
InChIInChI=1S/C20H20ClN5OS/c1-12-8-14(3)26(24-12)9-13(2)22-19(27)18-11-28-20-23-17(10-25(18)20)15-6-4-5-7-16(15)21/h4-8,10-11,13H,9H2,1-3H3,(H,22,27)
InChIKeyIJBYJTCHLUAFBV-UHFFFAOYSA-N
XLogP4.35
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
dimethyl (2R)-2-[[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]butanedioate
CID 25287668
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854363
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
methyl 2-[[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 45184945

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45206173) is 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1cc(C)n(CC(C)NC(=O)c2csc3nc(-c4ccccc4Cl)cn23)n1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is IJBYJTCHLUAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c1-12-8-14(3)26(24-12)9-13(2)22-19(27)18-11-28-20-23-17(10-25(18)20)15-6-4-5-7-16(15)21/h4-8,10-11,13H,9H2,1-3H3,(H,22,27).
What are the key properties of 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45206173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).