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

C28H27N5O2S2 — CID 25189856

IUPAC6-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
SMILESCc1nc(C(=O)N(C)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C28H27N5O2S2/c1-18-24(33-14-15-36-28(33)30-18)26(34)29-17-22(16-20-10-6-4-7-11-20)32(3)27(35)23-25(37-19(2)31-23)21-12-8-5-9-13-21/h4-15,22H,16-17H2,1-3H3,(H,29,34)
InChIKeyTVSSDLUJPFAEOF-UHFFFAOYSA-N
MW529.69 g/mol
LogP5.25
Rot. Bonds8

About 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

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 (PubChem CID 25189856) has the molecular formula C28H27N5O2S2 and a molecular weight of 529.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID25189856
Molecular FormulaC28H27N5O2S2
Molecular Weight529.69 g/mol
Exact Mass529.16
IUPAC Name6-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
SMILESCc1nc(C(=O)N(C)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C28H27N5O2S2/c1-18-24(33-14-15-36-28(33)30-18)26(34)29-17-22(16-20-10-6-4-7-11-20)32(3)27(35)23-25(37-19(2)31-23)21-12-8-5-9-13-21/h4-15,22H,16-17H2,1-3H3,(H,29,34)
InChIKeyTVSSDLUJPFAEOF-UHFFFAOYSA-N
XLogP5.25
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)N(C)C(CNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 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?
The InChIKey is TVSSDLUJPFAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S2/c1-18-24(33-14-15-36-28(33)30-18)26(34)29-17-22(16-20-10-6-4-7-11-20)32(3)27(35)23-25(37-19(2)31-23)21-12-8-5-9-13-21/h4-15,22H,16-17H2,1-3H3,(H,29,34).
What are the key properties of 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?
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 has a molecular weight of 529.69 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25189856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).