2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide

C14H18N4O2S — CID 91951851

IUPAC2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCc1nc(CNC(=O)Cc2ncn(C)c(=O)c2C)cs1
InChIInChI=1S/C14H18N4O2S/c1-4-13-17-10(7-21-13)6-15-12(19)5-11-9(2)14(20)18(3)8-16-11/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyUODHUGKHZYSOMM-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.97
Rot. Bonds5

About 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide

2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 91951851) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID91951851
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCc1nc(CNC(=O)Cc2ncn(C)c(=O)c2C)cs1
InChIInChI=1S/C14H18N4O2S/c1-4-13-17-10(7-21-13)6-15-12(19)5-11-9(2)14(20)18(3)8-16-11/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyUODHUGKHZYSOMM-UHFFFAOYSA-N
XLogP0.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide 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 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide (CID 91951851) is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide is CCc1nc(CNC(=O)Cc2ncn(C)c(=O)c2C)cs1.
What is the InChIKey of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is UODHUGKHZYSOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-13-17-10(7-21-13)6-15-12(19)5-11-9(2)14(20)18(3)8-16-11/h7-8H,4-6H2,1-3H3,(H,15,19).
What are the key properties of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 91951851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).