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

C27H25N5O2S2 — CID 25189907

IUPAC6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)NC(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C27H25N5O2S2/c1-17-23(32-13-14-35-27(32)29-17)26(34)28-16-21(15-19-9-5-3-6-10-19)31-25(33)22-24(36-18(2)30-22)20-11-7-4-8-12-20/h3-14,21H,15-16H2,1-2H3,(H,28,34)(H,31,33)
InChIKeyYSHANAXXAHWQPD-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.91
Rot. Bonds8

About 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

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 (PubChem CID 25189907) has the molecular formula C27H25N5O2S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25189907
Molecular FormulaC27H25N5O2S2
Molecular Weight515.66 g/mol
Exact Mass515.14
IUPAC Name6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)NC(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C27H25N5O2S2/c1-17-23(32-13-14-35-27(32)29-17)26(34)28-16-21(15-19-9-5-3-6-10-19)31-25(33)22-24(36-18(2)30-22)20-11-7-4-8-12-20/h3-14,21H,15-16H2,1-2H3,(H,28,34)(H,31,33)
InChIKeyYSHANAXXAHWQPD-UHFFFAOYSA-N
XLogP4.91
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
6-methyl-N-[(2R)-3-phenyl-2-[(2-phenylbenzoyl)amino]propyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67449083
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
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-[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-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67449613
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68726589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)NC(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 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?
The InChIKey is YSHANAXXAHWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S2/c1-17-23(32-13-14-35-27(32)29-17)26(34)28-16-21(15-19-9-5-3-6-10-19)31-25(33)22-24(36-18(2)30-22)20-11-7-4-8-12-20/h3-14,21H,15-16H2,1-2H3,(H,28,34)(H,31,33).
What are the key properties of 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?
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 has a molecular weight of 515.66 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25189907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).