N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H13Cl2N3OS — CID 42271784

IUPACN-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4ccc(Cl)c(Cl)c4)csc3n2)cc1
InChIInChI=1S/C19H13Cl2N3OS/c1-11-2-4-12(5-3-11)16-9-24-17(10-26-19(24)23-16)18(25)22-13-6-7-14(20)15(21)8-13/h2-10H,1H3,(H,22,25)
InChIKeyWTLVITCZAHBYPE-UHFFFAOYSA-N
MW402.31 g/mol
LogP5.93
Rot. Bonds3

About N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271784) has the molecular formula C19H13Cl2N3OS and a molecular weight of 402.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271784
Molecular FormulaC19H13Cl2N3OS
Molecular Weight402.31 g/mol
Exact Mass401.02
IUPAC NameN-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4ccc(Cl)c(Cl)c4)csc3n2)cc1
InChIInChI=1S/C19H13Cl2N3OS/c1-11-2-4-12(5-3-11)16-9-24-17(10-26-19(24)23-16)18(25)22-13-6-7-14(20)15(21)8-13/h2-10H,1H3,(H,22,25)
InChIKeyWTLVITCZAHBYPE-UHFFFAOYSA-N
XLogP5.93
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271756
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
N-(5-chloro-2-methylphenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270583
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271784) is N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(-c2cn3c(C(=O)Nc4ccc(Cl)c(Cl)c4)csc3n2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is WTLVITCZAHBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS/c1-11-2-4-12(5-3-11)16-9-24-17(10-26-19(24)23-16)18(25)22-13-6-7-14(20)15(21)8-13/h2-10H,1H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 402.31 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).