1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol

C14H16FN3OS — CID 86789238

IUPAC1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOC(CNc1nnc(Cc2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C14H16FN3OS/c15-11-5-1-9(2-6-11)7-13-17-18-14(20-13)16-8-12(19)10-3-4-10/h1-2,5-6,10,12,19H,3-4,7-8H2,(H,16,18)
InChIKeyVMUVCGRUNSKOMA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.45
Rot. Bonds6

About 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol

1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol (PubChem CID 86789238) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol
PubChem CID86789238
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOC(CNc1nnc(Cc2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C14H16FN3OS/c15-11-5-1-9(2-6-11)7-13-17-18-14(20-13)16-8-12(19)10-3-4-10/h1-2,5-6,10,12,19H,3-4,7-8H2,(H,16,18)
InChIKeyVMUVCGRUNSKOMA-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 45820928
2-[[5-[1-(3-Fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]-1,4,5,6-tetrahydropyrimidin-5-ol
CID 70108396
1-(3,5-Difluorophenyl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 143107534
1-(3,5-Difluorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 143107600
3-[5-[(2,3-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(2S)-2-hydroxypropyl]urea
CID 156738029
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 166568175
1-ethyl-3-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea
CID 166568177
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 166568200
3-[5-[(3,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(2S)-2-hydroxypropyl]urea
CID 167287827
(3S)-1-[[[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-hydroxymethyl]pyrrolidin-3-ol
CID 167288045
3-[5-[(2,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(2S)-2-hydroxypropyl]urea
CID 167288107
1-[[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-1-ol
CID 167288145

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol (CID 86789238) is 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol is OC(CNc1nnc(Cc2ccc(F)cc2)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol?
The InChIKey is VMUVCGRUNSKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-11-5-1-9(2-6-11)7-13-17-18-14(20-13)16-8-12(19)10-3-4-10/h1-2,5-6,10,12,19H,3-4,7-8H2,(H,16,18).
What are the key properties of 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol?
1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol has a molecular weight of 293.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 86789238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).