6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H17N3OS — CID 42271579

IUPAC6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-14(15-8-4-2-5-9-15)21-19(24)18-13-25-20-22-17(12-23(18)20)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)/t14-/m1/s1
InChIKeyKFELMZYCZIVOKG-CQSZACIVSA-N
MW347.44 g/mol
LogP4.55
Rot. Bonds4

About 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271579) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271579
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-14(15-8-4-2-5-9-15)21-19(24)18-13-25-20-22-17(12-23(18)20)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)/t14-/m1/s1
InChIKeyKFELMZYCZIVOKG-CQSZACIVSA-N
XLogP4.55
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290172
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25352341
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95188658
N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271565
6-(4-methoxyphenyl)-N-(2-phenylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270687
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
N-(2,4-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271416

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271579) is 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is C[C@@H](NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccccc1.
What is the InChIKey of 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is KFELMZYCZIVOKG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14(15-8-4-2-5-9-15)21-19(24)18-13-25-20-22-17(12-23(18)20)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).