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

C8H11F3N2OS — CID 103749833

IUPAC3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1csc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-2-5-4-15-7(13-5)12-3-6(14)8(9,10)11/h4,6,14H,2-3H2,1H3,(H,12,13)
InChIKeyXCEIKOIEBJBSHB-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.04
Rot. Bonds4

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

3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103749833) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103749833
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1csc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-2-5-4-15-7(13-5)12-3-6(14)8(9,10)11/h4,6,14H,2-3H2,1H3,(H,12,13)
InChIKeyXCEIKOIEBJBSHB-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-1-morpholin-4-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
CID 164642474
4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 58111294
N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178206
4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62962992
4-ethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 63226834
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 63827378
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 63828443
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64543594
1-[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544604
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544605
1-[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544805
1-[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544807

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103749833) is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol is CCc1csc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XCEIKOIEBJBSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-2-5-4-15-7(13-5)12-3-6(14)8(9,10)11/h4,6,14H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103749833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).