N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C21H19N3O2S — CID 19164089

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1
InChIInChI=1S/C21H19N3O2S/c1-14-19(20(25)22-12-15-8-10-17(26-2)11-9-15)27-21-23-18(13-24(14)21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,25)
InChIKeyNLJINNNQHQNYEV-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.31
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 19164089) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID19164089
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1
InChIInChI=1S/C21H19N3O2S/c1-14-19(20(25)22-12-15-8-10-17(26-2)11-9-15)27-21-23-18(13-24(14)21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,25)
InChIKeyNLJINNNQHQNYEV-UHFFFAOYSA-N
XLogP4.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031695
6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578782
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
6-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348878
6-(4-methoxyphenyl)-3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031651
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084732
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 19164089) is N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is NLJINNNQHQNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-19(20(25)22-12-15-8-10-17(26-2)11-9-15)27-21-23-18(13-24(14)21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 19164089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).