(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol

C12H12F3N3OS — CID 164629881

IUPAC(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol
SMILESO[C@H]1CCc2cnn(Cc3nc(C(F)(F)F)cs3)c2C1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-6-20-11(17-10)5-18-9-3-8(19)2-1-7(9)4-16-18/h4,6,8,19H,1-3,5H2/t8-/m0/s1
InChIKeyMUALOTRWOBXNAE-QMMMGPOBSA-N
MW303.31 g/mol
LogP2.26
Rot. Bonds2

About (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol

(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol (PubChem CID 164629881) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol
PubChem CID164629881
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol
SMILESO[C@H]1CCc2cnn(Cc3nc(C(F)(F)F)cs3)c2C1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-6-20-11(17-10)5-18-9-3-8(19)2-1-7(9)4-16-18/h4,6,8,19H,1-3,5H2/t8-/m0/s1
InChIKeyMUALOTRWOBXNAE-QMMMGPOBSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The IUPAC name of (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol (CID 164629881) is (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol.
What is the SMILES notation for (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The canonical SMILES for (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol is O[C@H]1CCc2cnn(Cc3nc(C(F)(F)F)cs3)c2C1.
What is the InChIKey of (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The InChIKey is MUALOTRWOBXNAE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c13-12(14,15)10-6-20-11(17-10)5-18-9-3-8(19)2-1-7(9)4-16-18/h4,6,8,19H,1-3,5H2/t8-/m0/s1.
What are the key properties of (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol?
(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol has a molecular weight of 303.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 164629881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).