6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C9H10N4O4S2 — CID 25038248

IUPAC6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H10N4O4S2/c1-4-3-10-9(18-4)13-19(16,17)6-5(2)11-8(15)12-7(6)14/h3H,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeySDEWHYUQKPCFHB-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.06
Rot. Bonds3

About 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 25038248) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID25038248
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H10N4O4S2/c1-4-3-10-9(18-4)13-19(16,17)6-5(2)11-8(15)12-7(6)14/h3H,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeySDEWHYUQKPCFHB-UHFFFAOYSA-N
XLogP-0.06
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 25038248) is 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1cnc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)s1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is SDEWHYUQKPCFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c1-4-3-10-9(18-4)13-19(16,17)6-5(2)11-8(15)12-7(6)14/h3H,1-2H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 25038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).