3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

C12H12N2S — CID 4604177

IUPAC3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESC1=C(c2ccccc2)N2CCCN=C2S1
InChIInChI=1S/C12H12N2S/c1-2-5-10(6-3-1)11-9-15-12-13-7-4-8-14(11)12/h1-3,5-6,9H,4,7-8H2
InChIKeyXZWPLVUQTBSUBV-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.79
Rot. Bonds1

About 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 4604177) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID4604177
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESC1=C(c2ccccc2)N2CCCN=C2S1
InChIInChI=1S/C12H12N2S/c1-2-5-10(6-3-1)11-9-15-12-13-7-4-8-14(11)12/h1-3,5-6,9H,4,7-8H2
InChIKeyXZWPLVUQTBSUBV-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 4604177) is 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is C1=C(c2ccccc2)N2CCCN=C2S1.
What is the InChIKey of 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is XZWPLVUQTBSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-5-10(6-3-1)11-9-15-12-13-7-4-8-14(11)12/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 216.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 4604177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).