1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile

C11H8N4O2S — CID 79873763

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(-c2nc(C3CC3)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8N4O2S/c12-3-7-4-15(10(17)14-9(7)16)11-13-8(5-18-11)6-1-2-6/h4-6H,1-2H2,(H,14,16,17)
InChIKeySESCPOOUYWHZEO-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.73
Rot. Bonds2

About 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile

1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79873763) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79873763
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(-c2nc(C3CC3)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8N4O2S/c12-3-7-4-15(10(17)14-9(7)16)11-13-8(5-18-11)6-1-2-6/h4-6H,1-2H2,(H,14,16,17)
InChIKeySESCPOOUYWHZEO-UHFFFAOYSA-N
XLogP0.73
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile (CID 79873763) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(-c2nc(C3CC3)cs2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is SESCPOOUYWHZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-3-7-4-15(10(17)14-9(7)16)11-13-8(5-18-11)6-1-2-6/h4-6H,1-2H2,(H,14,16,17).
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 260.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79873763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).