3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol

C6H8F3N3OS — CID 47003444

IUPAC3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cnc(N)s1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5(13,2-10)3-1-12-4(11)14-3/h1,13H,2,10H2,(H2,11,12)
InChIKeyJMMQXMOHKLQRIM-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.43
Rot. Bonds2

About 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 47003444) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID47003444
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cnc(N)s1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5(13,2-10)3-1-12-4(11)14-3/h1,13H,2,10H2,(H2,11,12)
InChIKeyJMMQXMOHKLQRIM-UHFFFAOYSA-N
XLogP0.43
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
1-(2-Amino-1,3-thiazol-5-yl)cyclobutan-1-ol
CID 22731376
2-(2-Aminothiazol-5-yl)propan-2-ol
CID 45121757
3-(2-Amino-1,3-thiazol-5-yl)pyrrolidin-3-ol
CID 104053468
3-(2-Amino-1,3-thiazol-5-yl)azetidin-3-ol; bis(trifluoroacetic acid)
CID 155978196
Diethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl-amidophosphate
CID 57644083
1-Butyl-3-ethyl-1-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 59149481
2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149483
2-[2-(Butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86591941
[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]phosphonic acid
CID 87308442
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
CID 87544007
1-(2-Amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
CID 87904345

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol (CID 47003444) is 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol is NCC(O)(c1cnc(N)s1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is JMMQXMOHKLQRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)5(13,2-10)3-1-12-4(11)14-3/h1,13H,2,10H2,(H2,11,12).
What are the key properties of 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 47003444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).