N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C27H28N4O2S — CID 67446191

IUPACN-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2ccccc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)cc1
InChIInChI=1S/C27H28N4O2S/c1-18-7-11-21(12-8-18)22-5-3-4-6-23(22)26(33)30(17-20-9-10-20)14-13-28-25(32)24-19(2)29-27-31(24)15-16-34-27/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,28,32)
InChIKeyIUVZRVLURBWBQA-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.96
Rot. Bonds8

About N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67446191) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67446191
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2ccccc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)cc1
InChIInChI=1S/C27H28N4O2S/c1-18-7-11-21(12-8-18)22-5-3-4-6-23(22)26(33)30(17-20-9-10-20)14-13-28-25(32)24-19(2)29-27-31(24)15-16-34-27/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,28,32)
InChIKeyIUVZRVLURBWBQA-UHFFFAOYSA-N
XLogP4.96
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67446191) is N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(-c2ccccc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IUVZRVLURBWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-7-11-21(12-8-18)22-5-3-4-6-23(22)26(33)30(17-20-9-10-20)14-13-28-25(32)24-19(2)29-27-31(24)15-16-34-27/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropylmethyl-[2-(4-methylphenyl)benzoyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67446191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).