N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H13N5O4S2 — CID 75398626

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C10H13N5O4S2/c1-4-7-11-12-9(20-7)13-21(18,19)6-5-14(2)10(17)15(3)8(6)16/h5H,4H2,1-3H3,(H,12,13)
InChIKeyKRIBMEWQXILBDS-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.70
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 75398626) has the molecular formula C10H13N5O4S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID75398626
Molecular FormulaC10H13N5O4S2
Molecular Weight331.38 g/mol
Exact Mass331.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C10H13N5O4S2/c1-4-7-11-12-9(20-7)13-21(18,19)6-5-14(2)10(17)15(3)8(6)16/h5H,4H2,1-3H3,(H,12,13)
InChIKeyKRIBMEWQXILBDS-UHFFFAOYSA-N
XLogP-0.70
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 75398626) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCc1nnc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is KRIBMEWQXILBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S2/c1-4-7-11-12-9(20-7)13-21(18,19)6-5-14(2)10(17)15(3)8(6)16/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 75398626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).