N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C17H22N4O2S — CID 11439407

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
InChIInChI=1S/C17H22N4O2S/c1-5-18-15(22)12-7-6-11(4)13(8-12)21-16(23)14-9-19-17(24-14)20-10(2)3/h6-10H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyNHJIWURDWROFKA-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.27
Rot. Bonds6

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11439407) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11439407
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1
InChIInChI=1S/C17H22N4O2S/c1-5-18-15(22)12-7-6-11(4)13(8-12)21-16(23)14-9-19-17(24-14)20-10(2)3/h6-10H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyNHJIWURDWROFKA-UHFFFAOYSA-N
XLogP3.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11439407) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is NHJIWURDWROFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-18-15(22)12-7-6-11(4)13(8-12)21-16(23)14-9-19-17(24-14)20-10(2)3/h6-10H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11439407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).