6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H22N4O2S — CID 86911881

IUPAC6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H22N4O2S/c1-11(2)10-17-3-5-18(6-4-17)13(20)12-9-16-15-19(14(12)21)7-8-22-15/h9,11H,3-8,10H2,1-2H3
InChIKeyDNMKRZJJYILDBD-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.76
Rot. Bonds3

About 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86911881) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86911881
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H22N4O2S/c1-11(2)10-17-3-5-18(6-4-17)13(20)12-9-16-15-19(14(12)21)7-8-22-15/h9,11H,3-8,10H2,1-2H3
InChIKeyDNMKRZJJYILDBD-UHFFFAOYSA-N
XLogP0.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86911881) is 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DNMKRZJJYILDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11(2)10-17-3-5-18(6-4-17)13(20)12-9-16-15-19(14(12)21)7-8-22-15/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 322.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86911881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).