5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile

C11H9N5OS — CID 58712586

IUPAC5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Nc2ncc(C3CC3)cn2)s[nH]c1=O
InChIInChI=1S/C11H9N5OS/c12-3-8-9(17)16-18-10(8)15-11-13-4-7(5-14-11)6-1-2-6/h4-6H,1-2H2,(H,16,17)(H,13,14,15)
InChIKeyAWVBXMDQKWFSCO-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.72
Rot. Bonds3

About 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile

5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 58712586) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID58712586
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Nc2ncc(C3CC3)cn2)s[nH]c1=O
InChIInChI=1S/C11H9N5OS/c12-3-8-9(17)16-18-10(8)15-11-13-4-7(5-14-11)6-1-2-6/h4-6H,1-2H2,(H,16,17)(H,13,14,15)
InChIKeyAWVBXMDQKWFSCO-UHFFFAOYSA-N
XLogP1.72
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile (CID 58712586) is 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile is N#Cc1c(Nc2ncc(C3CC3)cn2)s[nH]c1=O.
What is the InChIKey of 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is AWVBXMDQKWFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-3-8-9(17)16-18-10(8)15-11-13-4-7(5-14-11)6-1-2-6/h4-6H,1-2H2,(H,16,17)(H,13,14,15).
What are the key properties of 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 259.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 58712586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).