6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one

C17H13F3N4OS — CID 122655889

IUPAC6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESCC(C)c1nn2cnc(C(F)(F)F)cc2c1-c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C17H13F3N4OS/c1-8(2)15-14(9-3-4-10-12(5-9)26-16(25)22-10)11-6-13(17(18,19)20)21-7-24(11)23-15/h3-8H,1-2H3,(H,22,25)
InChIKeyYBYUQSMKSJBJRM-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.44
Rot. Bonds2

About 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one

6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 122655889) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
PubChem CID122655889
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESCC(C)c1nn2cnc(C(F)(F)F)cc2c1-c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C17H13F3N4OS/c1-8(2)15-14(9-3-4-10-12(5-9)26-16(25)22-10)11-6-13(17(18,19)20)21-7-24(11)23-15/h3-8H,1-2H3,(H,22,25)
InChIKeyYBYUQSMKSJBJRM-UHFFFAOYSA-N
XLogP4.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one 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 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one (CID 122655889) is 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one is CC(C)c1nn2cnc(C(F)(F)F)cc2c1-c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is YBYUQSMKSJBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-8(2)15-14(9-3-4-10-12(5-9)26-16(25)22-10)11-6-13(17(18,19)20)21-7-24(11)23-15/h3-8H,1-2H3,(H,22,25).
What are the key properties of 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 378.38 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122655889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).