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

C20H16ClN3OS — CID 134797632

IUPACN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cc(C(=O)NCc4cccc(Cl)c4)nc3s2)cc1
InChIInChI=1S/C20H16ClN3OS/c1-13-5-7-15(8-6-13)18-12-24-11-17(23-20(24)26-18)19(25)22-10-14-3-2-4-16(21)9-14/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyHRYRNICXLTXCHU-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.95
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797632) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797632
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cc(C(=O)NCc4cccc(Cl)c4)nc3s2)cc1
InChIInChI=1S/C20H16ClN3OS/c1-13-5-7-15(8-6-13)18-12-24-11-17(23-20(24)26-18)19(25)22-10-14-3-2-4-16(21)9-14/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyHRYRNICXLTXCHU-UHFFFAOYSA-N
XLogP4.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797632) is N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1ccc(-c2cn3cc(C(=O)NCc4cccc(Cl)c4)nc3s2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HRYRNICXLTXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-13-5-7-15(8-6-13)18-12-24-11-17(23-20(24)26-18)19(25)22-10-14-3-2-4-16(21)9-14/h2-9,11-12H,10H2,1H3,(H,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).