7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C6H5ClN2OS — CID 12568992

IUPAC7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cl)nc2n1CCS2
InChIInChI=1S/C6H5ClN2OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h3H,1-2H2
InChIKeySLYHGMXSCKDOKH-UHFFFAOYSA-N
MW188.64 g/mol
LogP1.00
Rot. Bonds

About 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 12568992) has the molecular formula C6H5ClN2OS and a molecular weight of 188.64 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID12568992
Molecular FormulaC6H5ClN2OS
Molecular Weight188.64 g/mol
Exact Mass187.98
IUPAC Name7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cl)nc2n1CCS2
InChIInChI=1S/C6H5ClN2OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h3H,1-2H2
InChIKeySLYHGMXSCKDOKH-UHFFFAOYSA-N
XLogP1.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.64
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 12568992) is 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(Cl)nc2n1CCS2.
What is the InChIKey of 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SLYHGMXSCKDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h3H,1-2H2.
What are the key properties of 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 188.64 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 12568992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).