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

C17H11F3N4OS — CID 122655931

IUPAC6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(C4CC4)nn4cnc(C(F)(F)F)cc34)cc2s1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)13-6-11-14(15(8-1-2-8)23-24(11)7-21-13)9-3-4-10-12(5-9)26-16(25)22-10/h3-8H,1-2H2,(H,22,25)
InChIKeyFICFQGQPSBDXSH-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.20
Rot. Bonds2

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

6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 122655931) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
PubChem CID122655931
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC Name6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(C4CC4)nn4cnc(C(F)(F)F)cc34)cc2s1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)13-6-11-14(15(8-1-2-8)23-24(11)7-21-13)9-3-4-10-12(5-9)26-16(25)22-10/h3-8H,1-2H2,(H,22,25)
InChIKeyFICFQGQPSBDXSH-UHFFFAOYSA-N
XLogP4.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one (CID 122655931) is 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(-c3c(C4CC4)nn4cnc(C(F)(F)F)cc34)cc2s1.
What is the InChIKey of 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is FICFQGQPSBDXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-17(19,20)13-6-11-14(15(8-1-2-8)23-24(11)7-21-13)9-3-4-10-12(5-9)26-16(25)22-10/h3-8H,1-2H2,(H,22,25).
What are the key properties of 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one?
6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 376.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidin-3-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122655931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).