1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one

C11H14N4OS — CID 79774257

IUPAC1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one
SMILESCCCNc1ncc(Cn2cccnc2=O)s1
InChIInChI=1S/C11H14N4OS/c1-2-4-12-10-14-7-9(17-10)8-15-6-3-5-13-11(15)16/h3,5-7H,2,4,8H2,1H3,(H,12,14)
InChIKeyWLNJDJHFWLDOEY-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.57
Rot. Bonds5

About 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one

1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one (PubChem CID 79774257) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one
PubChem CID79774257
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one
SMILESCCCNc1ncc(Cn2cccnc2=O)s1
InChIInChI=1S/C11H14N4OS/c1-2-4-12-10-14-7-9(17-10)8-15-6-3-5-13-11(15)16/h3,5-7H,2,4,8H2,1H3,(H,12,14)
InChIKeyWLNJDJHFWLDOEY-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one?
The IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one (CID 79774257) is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one is CCCNc1ncc(Cn2cccnc2=O)s1.
What is the InChIKey of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one?
The InChIKey is WLNJDJHFWLDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-4-12-10-14-7-9(17-10)8-15-6-3-5-13-11(15)16/h3,5-7H,2,4,8H2,1H3,(H,12,14).
What are the key properties of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one?
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 79774257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).