N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H19N3O2S — CID 63312901

IUPACN-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C15H19N3O2S/c1-9-4-5-12(16)8-13(9)17-14(19)6-7-18-10(2)11(3)21-15(18)20/h4-5,8H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyMOMCGVSWKFPNSJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.45
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 63312901) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID63312901
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C15H19N3O2S/c1-9-4-5-12(16)8-13(9)17-14(19)6-7-18-10(2)11(3)21-15(18)20/h4-5,8H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyMOMCGVSWKFPNSJ-UHFFFAOYSA-N
XLogP2.45
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 63312901) is N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCn1c(C)c(C)sc1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is MOMCGVSWKFPNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-5-12(16)8-13(9)17-14(19)6-7-18-10(2)11(3)21-15(18)20/h4-5,8H,6-7,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 63312901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).