2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 49025576

IUPAC2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C18H23N3O2S/c1-5-8-21(11-16(22)19-4)18(23)15-10-20-17(24-15)14-7-6-12(2)9-13(14)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,19,22)
InChIKeyXQZYHPRSEPAFFE-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.03
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 49025576) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID49025576
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C18H23N3O2S/c1-5-8-21(11-16(22)19-4)18(23)15-10-20-17(24-15)14-7-6-12(2)9-13(14)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,19,22)
InChIKeyXQZYHPRSEPAFFE-UHFFFAOYSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide (CID 49025576) is 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide is CCCN(CC(=O)NC)C(=O)c1cnc(-c2ccc(C)cc2C)s1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is XQZYHPRSEPAFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-8-21(11-16(22)19-4)18(23)15-10-20-17(24-15)14-7-6-12(2)9-13(14)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,19,22).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49025576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).