6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H26N4O2S — CID 67448084

IUPAC6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCC(NC(=O)c1ccccc1-c1ccccc1)C(C)C
InChIInChI=1S/C25H26N4O2S/c1-16(2)21(15-26-24(31)22-17(3)27-25-29(22)13-14-32-25)28-23(30)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyVONREMPQAKZPBZ-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.56
Rot. Bonds7

About 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67448084) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67448084
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCC(NC(=O)c1ccccc1-c1ccccc1)C(C)C
InChIInChI=1S/C25H26N4O2S/c1-16(2)21(15-26-24(31)22-17(3)27-25-29(22)13-14-32-25)28-23(30)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyVONREMPQAKZPBZ-UHFFFAOYSA-N
XLogP4.56
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67449083
N-[(2S)-2-[benzyl-(2-phenylbenzoyl)amino]-2-cyclopropylethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67445381
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
N-[(2S)-2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-methylbutyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446689
N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446191
6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189907
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
6-methyl-N-[2-[methyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189856
N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446951
N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67081005
N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189963

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67448084) is 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCC(NC(=O)c1ccccc1-c1ccccc1)C(C)C.
What is the InChIKey of 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is VONREMPQAKZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16(2)21(15-26-24(31)22-17(3)27-25-29(22)13-14-32-25)28-23(30)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,16,21H,15H2,1-3H3,(H,26,31)(H,28,30).
What are the key properties of 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67448084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).