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

C14H18F3N5O2S — CID 120813399

IUPAC5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H18F3N5O2S/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)
InChIKeyDFARDVASPFHZDT-UHFFFAOYSA-N
MW377.39 g/mol
LogP-0.09
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

5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 120813399) has the molecular formula C14H18F3N5O2S and a molecular weight of 377.39 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.

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
PubChem CID120813399
Molecular FormulaC14H18F3N5O2S
Molecular Weight377.39 g/mol
Exact Mass377.11
IUPAC Name5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H18F3N5O2S/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)
InChIKeyDFARDVASPFHZDT-UHFFFAOYSA-N
XLogP-0.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 5-0.09
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?
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 (CID 120813399) is 5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
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?
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 is 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?
The InChIKey is DFARDVASPFHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2S/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).
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?
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 377.39 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 120813399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).