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

C29H26N4O2S — CID 67449083

IUPAC6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H26N4O2S/c1-20-26(33-16-17-36-29(33)31-20)28(35)30-19-23(18-21-10-4-2-5-11-21)32-27(34)25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-17,23H,18-19H2,1H3,(H,30,35)(H,32,34)/t23-/m1/s1
InChIKeyDFUXHJQODRIMPW-HSZRJFAPSA-N
MW494.62 g/mol
LogP5.14
Rot. Bonds8

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

6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67449083) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67449083
Molecular FormulaC29H26N4O2S
Molecular Weight494.62 g/mol
Exact Mass494.18
IUPAC Name6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H26N4O2S/c1-20-26(33-16-17-36-29(33)31-20)28(35)30-19-23(18-21-10-4-2-5-11-21)32-27(34)25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-17,23H,18-19H2,1H3,(H,30,35)(H,32,34)/t23-/m1/s1
InChIKeyDFUXHJQODRIMPW-HSZRJFAPSA-N
XLogP5.14
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67449083) is 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is DFUXHJQODRIMPW-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H26N4O2S/c1-20-26(33-16-17-36-29(33)31-20)28(35)30-19-23(18-21-10-4-2-5-11-21)32-27(34)25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-17,23H,18-19H2,1H3,(H,30,35)(H,32,34)/t23-/m1/s1.
What are the key properties of 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67449083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).