2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C14H19F3N2OS — CID 62753517

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(N(CC(F)(F)F)C3CC3)sc2C(O)C1
InChIInChI=1S/C14H19F3N2OS/c1-13(2)5-9-11(10(20)6-13)21-12(18-9)19(8-3-4-8)7-14(15,16)17/h8,10,20H,3-7H2,1-2H3
InChIKeyJEFUOZSEMIGOIR-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.68
Rot. Bonds3

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62753517) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62753517
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(N(CC(F)(F)F)C3CC3)sc2C(O)C1
InChIInChI=1S/C14H19F3N2OS/c1-13(2)5-9-11(10(20)6-13)21-12(18-9)19(8-3-4-8)7-14(15,16)17/h8,10,20H,3-7H2,1-2H3
InChIKeyJEFUOZSEMIGOIR-UHFFFAOYSA-N
XLogP3.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

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CID 62752988
CID 62752990
CID 62752990
CID 62752998
CID 62752998
CID 62753179
CID 62753179
CID 62753344
CID 62753344
CID 62753346
CID 62753346
CID 62969518
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CID 65532121
CID 65532121

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62753517) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(N(CC(F)(F)F)C3CC3)sc2C(O)C1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is JEFUOZSEMIGOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-13(2)5-9-11(10(20)6-13)21-12(18-9)19(8-3-4-8)7-14(15,16)17/h8,10,20H,3-7H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 320.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).