6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H18N4O3S — CID 39996236

IUPAC6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18N4O3S/c24-17(13-11-20-19-23(18(13)25)9-10-27-19)22-7-5-12(6-8-22)16-21-14-3-1-2-4-15(14)26-16/h1-4,11-12H,5-10H2
InChIKeyRWVZKBMXJJIGOY-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.51
Rot. Bonds2

About 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 39996236) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID39996236
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18N4O3S/c24-17(13-11-20-19-23(18(13)25)9-10-27-19)22-7-5-12(6-8-22)16-21-14-3-1-2-4-15(14)26-16/h1-4,11-12H,5-10H2
InChIKeyRWVZKBMXJJIGOY-UHFFFAOYSA-N
XLogP2.51
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 39996236) is 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RWVZKBMXJJIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-17(13-11-20-19-23(18(13)25)9-10-27-19)22-7-5-12(6-8-22)16-21-14-3-1-2-4-15(14)26-16/h1-4,11-12H,5-10H2.
What are the key properties of 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 382.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 39996236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).