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

C7H10F3N3OS — CID 107305690

IUPAC1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCC(O)CN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-4(14)3-13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyVJBQFUWKAMRIET-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.37
Rot. Bonds3

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

1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 107305690) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID107305690
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCC(O)CN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-4(14)3-13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyVJBQFUWKAMRIET-UHFFFAOYSA-N
XLogP1.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 104952794
1,1,1-Trifluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647015
1,1-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647631
1,1-Difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 105647844
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304711

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 107305690) is 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is CC(O)CN(C)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is VJBQFUWKAMRIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-4(14)3-13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3.
What are the key properties of 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol has a molecular weight of 241.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 107305690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).