N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H14F3N5O2S — CID 45154029

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H14F3N5O2S/c1-9-7-11(15(16,17)18)21-23(9)4-2-3-19-12(24)10-8-20-14-22(13(10)25)5-6-26-14/h5-8H,2-4H2,1H3,(H,19,24)
InChIKeyFPXJPLVRBASXSC-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.10
Rot. Bonds5

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 45154029) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID45154029
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H14F3N5O2S/c1-9-7-11(15(16,17)18)21-23(9)4-2-3-19-12(24)10-8-20-14-22(13(10)25)5-6-26-14/h5-8H,2-4H2,1H3,(H,19,24)
InChIKeyFPXJPLVRBASXSC-UHFFFAOYSA-N
XLogP2.10
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 45154029) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FPXJPLVRBASXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c1-9-7-11(15(16,17)18)21-23(9)4-2-3-19-12(24)10-8-20-14-22(13(10)25)5-6-26-14/h5-8H,2-4H2,1H3,(H,19,24).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 45154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).