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

C27H23N3O2S — CID 121031695

IUPAC3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C27H23N3O2S/c1-19-25(33-27-29-24(17-30(19)27)22-10-6-3-7-11-22)26(31)28-16-20-12-14-23(15-13-20)32-18-21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,28,31)
InChIKeyLYOFKTDIWOQHQK-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.88
Rot. Bonds7

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

3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 121031695) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID121031695
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC Name3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C27H23N3O2S/c1-19-25(33-27-29-24(17-30(19)27)22-10-6-3-7-11-22)26(31)28-16-20-12-14-23(15-13-20)32-18-21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,28,31)
InChIKeyLYOFKTDIWOQHQK-UHFFFAOYSA-N
XLogP5.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
6-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348878
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
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-methoxyphenyl)-3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031651
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084732
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 121031695) is 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCc2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is LYOFKTDIWOQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S/c1-19-25(33-27-29-24(17-30(19)27)22-10-6-3-7-11-22)26(31)28-16-20-12-14-23(15-13-20)32-18-21-8-4-2-5-9-21/h2-15,17H,16,18H2,1H3,(H,28,31).
What are the key properties of 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 121031695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).