2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C7H6F6N2OS — CID 11357953

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1nc(N)sc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2OS/c1-2-3(17-4(14)15-2)5(16,6(8,9)10)7(11,12)13/h16H,1H3,(H2,14,15)
InChIKeyAHBIYGBFBJYWPE-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.35
Rot. Bonds1

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11357953) has the molecular formula C7H6F6N2OS and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11357953
Molecular FormulaC7H6F6N2OS
Molecular Weight280.19 g/mol
Exact Mass280.01
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1nc(N)sc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2OS/c1-2-3(17-4(14)15-2)5(16,6(8,9)10)7(11,12)13/h16H,1H3,(H2,14,15)
InChIKeyAHBIYGBFBJYWPE-UHFFFAOYSA-N
XLogP2.35
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 130154004
Tert-butyl (5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)thiazol-2-yl)carbamate
CID 118545134
2-(2-Amino-4-(trifluoromethyl)thiazol-5-yl)propan-2-ol
CID 118545135
[5-(2-Hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 122483714
5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 123627610
5-(1,1,1,2,3,3-Hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 141237149
2-[2-(Methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 170441993
1-[2-Amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol
CID 171646424
[2-Amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol
CID 57337582
1-(2-Amino-4-methyl-1,3-thiazol-5-YL)ethanol
CID 16769648
(2-Amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol
CID 84654450
2-[2-(Dimethylamino)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427799

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11357953) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1nc(N)sc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is AHBIYGBFBJYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2OS/c1-2-3(17-4(14)15-2)5(16,6(8,9)10)7(11,12)13/h16H,1H3,(H2,14,15).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 280.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11357953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).