7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H14N4O2S2 — CID 135534238

IUPAC7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)[nH]c(SCc2cc(=O)n3ccsc3n2)n1
InChIInChI=1S/C14H14N4O2S2/c1-2-3-9-6-11(19)17-13(15-9)22-8-10-7-12(20)18-4-5-21-14(18)16-10/h4-7H,2-3,8H2,1H3,(H,15,17,19)
InChIKeyVLINBIHKSUSAHE-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.08
Rot. Bonds5

About 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135534238) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135534238
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)[nH]c(SCc2cc(=O)n3ccsc3n2)n1
InChIInChI=1S/C14H14N4O2S2/c1-2-3-9-6-11(19)17-13(15-9)22-8-10-7-12(20)18-4-5-21-14(18)16-10/h4-7H,2-3,8H2,1H3,(H,15,17,19)
InChIKeyVLINBIHKSUSAHE-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135534238) is 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)[nH]c(SCc2cc(=O)n3ccsc3n2)n1.
What is the InChIKey of 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VLINBIHKSUSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-2-3-9-6-11(19)17-13(15-9)22-8-10-7-12(20)18-4-5-21-14(18)16-10/h4-7H,2-3,8H2,1H3,(H,15,17,19).
What are the key properties of 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 334.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135534238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).