5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

C14H19ClF3N5O2S — CID 120813398

IUPAC5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H18F3N5O2S.ClH/c15-14(16,17)10(21-3-1-18-2-4-21)8-19-11(23)9-7-20-13-22(12(9)24)5-6-25-13;/h7,10,18H,1-6,8H2,(H,19,23);1H
InChIKeyQLOMSJWWSZDLIS-UHFFFAOYSA-N
MW413.85 g/mol
LogP0.34
Rot. Bonds4

About 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride

5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 120813398) has the molecular formula C14H19ClF3N5O2S and a molecular weight of 413.85 g/mol. Its IUPAC name is 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID120813398
Molecular FormulaC14H19ClF3N5O2S
Molecular Weight413.85 g/mol
Exact Mass413.09
IUPAC Name5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H18F3N5O2S.ClH/c15-14(16,17)10(21-3-1-18-2-4-21)8-19-11(23)9-7-20-13-22(12(9)24)5-6-25-13;/h7,10,18H,1-6,8H2,(H,19,23);1H
InChIKeyQLOMSJWWSZDLIS-UHFFFAOYSA-N
XLogP0.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.85
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride (CID 120813398) is 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is QLOMSJWWSZDLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2S.ClH/c15-14(16,17)10(21-3-1-18-2-4-21)8-19-11(23)9-7-20-13-22(12(9)24)5-6-25-13;/h7,10,18H,1-6,8H2,(H,19,23);1H.
What are the key properties of 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride?
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 413.85 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120813398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).