3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol

C7H9F3N2OS2 — CID 63900679

IUPAC3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(N)sc1SCC(O)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS2/c1-3-5(15-6(11)12-3)14-2-4(13)7(8,9)10/h4,13H,2H2,1H3,(H2,11,12)
InChIKeyOZWUZCFJLSXDSR-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.05
Rot. Bonds3

About 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900679) has the molecular formula C7H9F3N2OS2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
PubChem CID63900679
Molecular FormulaC7H9F3N2OS2
Molecular Weight258.29 g/mol
Exact Mass258.01
IUPAC Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(N)sc1SCC(O)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS2/c1-3-5(15-6(11)12-3)14-2-4(13)7(8,9)10/h4,13H,2H2,1H3,(H2,11,12)
InChIKeyOZWUZCFJLSXDSR-UHFFFAOYSA-N
XLogP2.05
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

4-Methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
CID 24703334
5-(Difluoromethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 43250726
4-Methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 54962028
5-(2,2-Difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 60922403
4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 61490891
4-Methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine
CID 64564844
4-Methyl-5-[2-(trifluoromethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 65806075
5-(2-Fluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 80693771
5-(3-Fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 81106971
4-Methyl-5-(2,2,2-trifluoroethoxymethylsulfanyl)-1,3-thiazol-2-amine
CID 106705060
4-Methyl-5-(4,4,4-trifluorobutylsulfanyl)-1,3-thiazol-2-amine
CID 115514150
4-Methyl-5-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,3-thiazol-2-amine
CID 116616154

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol (CID 63900679) is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol is Cc1nc(N)sc1SCC(O)C(F)(F)F.
What is the InChIKey of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OZWUZCFJLSXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS2/c1-3-5(15-6(11)12-3)14-2-4(13)7(8,9)10/h4,13H,2H2,1H3,(H2,11,12).
What are the key properties of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol?
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 258.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).