2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H13N5O3S — CID 53499795

IUPAC2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C14H13N5O3S/c1-8-7-23-13(16-8)17-11(20)6-19-12(21)9(4-15)5-18(14(19)22)10-2-3-10/h5,7,10H,2-3,6H2,1H3,(H,16,17,20)
InChIKeyVXYSZCKOZPFBLX-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.62
Rot. Bonds4

About 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 53499795) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID53499795
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C14H13N5O3S/c1-8-7-23-13(16-8)17-11(20)6-19-12(21)9(4-15)5-18(14(19)22)10-2-3-10/h5,7,10H,2-3,6H2,1H3,(H,16,17,20)
InChIKeyVXYSZCKOZPFBLX-UHFFFAOYSA-N
XLogP0.62
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 53499795) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1.
What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VXYSZCKOZPFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-8-7-23-13(16-8)17-11(20)6-19-12(21)9(4-15)5-18(14(19)22)10-2-3-10/h5,7,10H,2-3,6H2,1H3,(H,16,17,20).
What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 331.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53499795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).