2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one

C15H19N3OS — CID 136702176

IUPAC2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(/C(=C\c2scnc2C)CC)n1
InChIInChI=1S/C15H19N3OS/c1-4-6-12-8-14(19)18-15(17-12)11(5-2)7-13-10(3)16-9-20-13/h7-9H,4-6H2,1-3H3,(H,17,18,19)/b11-7-
InChIKeyJBLDWTAVYNHJNB-XFFZJAGNSA-N
MW289.40 g/mol
LogP3.44
Rot. Bonds5

About 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one

2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 136702176) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
PubChem CID136702176
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(/C(=C\c2scnc2C)CC)n1
InChIInChI=1S/C15H19N3OS/c1-4-6-12-8-14(19)18-15(17-12)11(5-2)7-13-10(3)16-9-20-13/h7-9H,4-6H2,1-3H3,(H,17,18,19)/b11-7-
InChIKeyJBLDWTAVYNHJNB-XFFZJAGNSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one (CID 136702176) is 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(/C(=C\c2scnc2C)CC)n1.
What is the InChIKey of 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is JBLDWTAVYNHJNB-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-6-12-8-14(19)18-15(17-12)11(5-2)7-13-10(3)16-9-20-13/h7-9H,4-6H2,1-3H3,(H,17,18,19)/b11-7-.
What are the key properties of 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 289.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-methyl-1,3-thiazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136702176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).