N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H14N4O3S — CID 56710083

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)sc1C
InChIInChI=1S/C12H14N4O3S/c1-6-7(2)20-10(14-6)3-4-13-11(18)8-5-9(17)16-12(19)15-8/h5H,3-4H2,1-2H3,(H,13,18)(H2,15,16,17,19)
InChIKeyAJDAXIOFZAVWBC-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.11
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 56710083) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID56710083
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)sc1C
InChIInChI=1S/C12H14N4O3S/c1-6-7(2)20-10(14-6)3-4-13-11(18)8-5-9(17)16-12(19)15-8/h5H,3-4H2,1-2H3,(H,13,18)(H2,15,16,17,19)
InChIKeyAJDAXIOFZAVWBC-UHFFFAOYSA-N
XLogP0.11
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-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-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 56710083) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1nc(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is AJDAXIOFZAVWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-6-7(2)20-10(14-6)3-4-13-11(18)8-5-9(17)16-12(19)15-8/h5H,3-4H2,1-2H3,(H,13,18)(H2,15,16,17,19).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 56710083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).