N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C13H16N4O3S — CID 91796805

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O3S/c1-4-9-10(21-7(2)15-9)5-14-11(18)8-6-17(3)13(20)16-12(8)19/h6H,4-5H2,1-3H3,(H,14,18)(H,16,19,20)
InChIKeyUCKPWGBSRNDCQS-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.33
Rot. Bonds4

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 91796805) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID91796805
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O3S/c1-4-9-10(21-7(2)15-9)5-14-11(18)8-6-17(3)13(20)16-12(8)19/h6H,4-5H2,1-3H3,(H,14,18)(H,16,19,20)
InChIKeyUCKPWGBSRNDCQS-UHFFFAOYSA-N
XLogP0.33
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-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-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 91796805) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is CCc1nc(C)sc1CNC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is UCKPWGBSRNDCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-4-9-10(21-7(2)15-9)5-14-11(18)8-6-17(3)13(20)16-12(8)19/h6H,4-5H2,1-3H3,(H,14,18)(H,16,19,20).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 91796805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).