1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol

C9H14F3N3OS — CID 107305718

IUPAC1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-4-15(5-8(2,3)16)7-13-6(14-17-7)9(10,11)12/h16H,4-5H2,1-3H3
InChIKeyCKIOXNKAUQIGRY-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.15
Rot. Bonds4

About 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol (PubChem CID 107305718) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol
PubChem CID107305718
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-4-15(5-8(2,3)16)7-13-6(14-17-7)9(10,11)12/h16H,4-5H2,1-3H3
InChIKeyCKIOXNKAUQIGRY-UHFFFAOYSA-N
XLogP2.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol (CID 107305718) is 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol?
The InChIKey is CKIOXNKAUQIGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-4-15(5-8(2,3)16)7-13-6(14-17-7)9(10,11)12/h16H,4-5H2,1-3H3.
What are the key properties of 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol has a molecular weight of 269.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 107305718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).