1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H17F3N4O2S — CID 47025137

IUPAC1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)9-19-13(24)10-1-3-21(4-2-10)8-11-7-12(23)22-5-6-25-14(22)20-11/h5-7,10H,1-4,8-9H2,(H,19,24)
InChIKeySZMATQOETIQMSK-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.65
Rot. Bonds4

About 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 47025137) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID47025137
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)9-19-13(24)10-1-3-21(4-2-10)8-11-7-12(23)22-5-6-25-14(22)20-11/h5-7,10H,1-4,8-9H2,(H,19,24)
InChIKeySZMATQOETIQMSK-UHFFFAOYSA-N
XLogP1.65
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
7-[[3-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167781422
7-[[(2S,3S)-3-(aminomethyl)-2-(trifluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167927003
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 47055648
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
CID 2419349
7-[(4-Methylpiperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655083
7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2682127
7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2682130
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8741653
7-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8904724
7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8904726

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 47025137) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SZMATQOETIQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c16-15(17,18)9-19-13(24)10-1-3-21(4-2-10)8-11-7-12(23)22-5-6-25-14(22)20-11/h5-7,10H,1-4,8-9H2,(H,19,24).
What are the key properties of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47025137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).