N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C27H25N5O2S2 — CID 25189440

IUPACN-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(CCNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C27H25N5O2S2/c1-18-23(32-15-16-35-27(32)29-18)25(33)28-13-14-31(17-20-9-5-3-6-10-20)26(34)22-24(36-19(2)30-22)21-11-7-4-8-12-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,33)
InChIKeyWMIREBOPPAUHHO-UHFFFAOYSA-N
MW515.66 g/mol
LogP5.21
Rot. Bonds8

About N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25189440) has the molecular formula C27H25N5O2S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-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]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25189440
Molecular FormulaC27H25N5O2S2
Molecular Weight515.66 g/mol
Exact Mass515.14
IUPAC NameN-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(CCNC(=O)c2c(C)nc3sccn23)Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C27H25N5O2S2/c1-18-23(32-15-16-35-27(32)29-18)25(33)28-13-14-31(17-20-9-5-3-6-10-20)26(34)22-24(36-19(2)30-22)21-11-7-4-8-12-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,33)
InChIKeyWMIREBOPPAUHHO-UHFFFAOYSA-N
XLogP5.21
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-3-phenylpropyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189963
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
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-[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
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68727708
N-benzyl-N-[2-(2,3-dihydro-1-benzofuran-7-carbonylamino)ethyl]-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25188962
N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25190082

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-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]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25189440) is N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-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]ethyl]-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]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N(CCNC(=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]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is WMIREBOPPAUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S2/c1-18-23(32-15-16-35-27(32)29-18)25(33)28-13-14-31(17-20-9-5-3-6-10-20)26(34)22-24(36-19(2)30-22)21-11-7-4-8-12-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,33).
What are the key properties of N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 5.21, 8 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]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25189440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).