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

C13H14N2S — CID 850185

IUPAC3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1=C(c2ccccc2)SC2=NCCCN21
InChIInChI=1S/C13H14N2S/c1-10-12(11-6-3-2-4-7-11)16-13-14-8-5-9-15(10)13/h2-4,6-7H,5,8-9H2,1H3
InChIKeyMHVCXQFODQDVEC-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.18
Rot. Bonds1

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

3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 850185) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID850185
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1=C(c2ccccc2)SC2=NCCCN21
InChIInChI=1S/C13H14N2S/c1-10-12(11-6-3-2-4-7-11)16-13-14-8-5-9-15(10)13/h2-4,6-7H,5,8-9H2,1H3
InChIKeyMHVCXQFODQDVEC-UHFFFAOYSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 850185) is 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is CC1=C(c2ccccc2)SC2=NCCCN21.
What is the InChIKey of 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is MHVCXQFODQDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-12(11-6-3-2-4-7-11)16-13-14-8-5-9-15(10)13/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 230.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 850185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).