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

C34H31N5O2S2 — CID 25189963

IUPACN-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C34H31N5O2S2/c1-23-30(38-18-19-42-34(38)36-23)32(40)35-21-28(20-25-12-6-3-7-13-25)39(22-26-14-8-4-9-15-26)33(41)29-31(43-24(2)37-29)27-16-10-5-11-17-27/h3-19,28H,20-22H2,1-2H3,(H,35,40)
InChIKeyZWAHBOBYHVYUML-UHFFFAOYSA-N
MW605.79 g/mol
LogP6.82
Rot. Bonds10

About 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

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 (PubChem CID 25189963) has the molecular formula C34H31N5O2S2 and a molecular weight of 605.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25189963
Molecular FormulaC34H31N5O2S2
Molecular Weight605.79 g/mol
Exact Mass605.19
IUPAC NameN-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccccc2)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C34H31N5O2S2/c1-23-30(38-18-19-42-34(38)36-23)32(40)35-21-28(20-25-12-6-3-7-13-25)39(22-26-14-8-4-9-15-26)33(41)29-31(43-24(2)37-29)27-16-10-5-11-17-27/h3-19,28H,20-22H2,1-2H3,(H,35,40)
InChIKeyZWAHBOBYHVYUML-UHFFFAOYSA-N
XLogP6.82
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-4-phenylbutyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189663
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
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-[(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
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-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189440
6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67449083
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
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
6-methyl-N-[3-[methyl(quinoxaline-6-carbonyl)amino]-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67248601
N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446495

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)N(Cc2ccccc2)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 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?
The InChIKey is ZWAHBOBYHVYUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O2S2/c1-23-30(38-18-19-42-34(38)36-23)32(40)35-21-28(20-25-12-6-3-7-13-25)39(22-26-14-8-4-9-15-26)33(41)29-31(43-24(2)37-29)27-16-10-5-11-17-27/h3-19,28H,20-22H2,1-2H3,(H,35,40).
What are the key properties of 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?
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 has a molecular weight of 605.79 g/mol, XLogP of 6.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25189963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).