7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H16FN5O2S — CID 170553865

IUPAC7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCNCC5)sc4n3)cc2o1
InChIInChI=1S/C18H16FN5O2S/c1-10-21-17-12(19)6-11(7-14(17)26-10)13-8-15(25)24-9-16(27-18(24)22-13)23-4-2-20-3-5-23/h6-9,20H,2-5H2,1H3
InChIKeyDJVWBHSADUAKIL-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.42
Rot. Bonds2

About 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 170553865) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID170553865
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCNCC5)sc4n3)cc2o1
InChIInChI=1S/C18H16FN5O2S/c1-10-21-17-12(19)6-11(7-14(17)26-10)13-8-15(25)24-9-16(27-18(24)22-13)23-4-2-20-3-5-23/h6-9,20H,2-5H2,1H3
InChIKeyDJVWBHSADUAKIL-UHFFFAOYSA-N
XLogP2.42
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 170553865) is 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCNCC5)sc4n3)cc2o1.
What is the InChIKey of 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DJVWBHSADUAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10-21-17-12(19)6-11(7-14(17)26-10)13-8-15(25)24-9-16(27-18(24)22-13)23-4-2-20-3-5-23/h6-9,20H,2-5H2,1H3.
What are the key properties of 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 385.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 170553865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).