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

C8H11F3N2OS — CID 103749834

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(NCC(O)C(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(13-4)12-3-6(14)8(9,10)11/h6,14H,3H2,1-2H3,(H,12,13)
InChIKeyAOFPXUZXBGZTEA-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.10
Rot. Bonds3

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

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103749834) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103749834
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(NCC(O)C(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(13-4)12-3-6(14)8(9,10)11/h6,14H,3H2,1-2H3,(H,12,13)
InChIKeyAOFPXUZXBGZTEA-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65168270
4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 65168667
4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 65169956
1-[(2S)-2,3-dihydroxypropyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71858509
N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 80403172
4,5-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
CID 80403586
4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
CID 102809308
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 103081420
3-[(4-Ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103749833
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine
CID 104854607
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
CID 104858584
1,1,1-Trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)amino]propan-2-ol
CID 105647123

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103749834) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol is Cc1nc(NCC(O)C(F)(F)F)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is AOFPXUZXBGZTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(13-4)12-3-6(14)8(9,10)11/h6,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103749834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).