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

C12H14FN3OS — CID 133465775

IUPAC1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H14FN3OS/c1-8(17)7-14-12-16-15-11(18-12)6-9-2-4-10(13)5-3-9/h2-5,8,17H,6-7H2,1H3,(H,14,16)
InChIKeyWSRXJGWWSIKDOU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.06
Rot. Bonds5

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

1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (PubChem CID 133465775) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
PubChem CID133465775
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H14FN3OS/c1-8(17)7-14-12-16-15-11(18-12)6-9-2-4-10(13)5-3-9/h2-5,8,17H,6-7H2,1H3,(H,14,16)
InChIKeyWSRXJGWWSIKDOU-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 133457119
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456278
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133458145
N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133457944
N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
CID 133457957
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (CID 133465775) is 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is CC(O)CNc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The InChIKey is WSRXJGWWSIKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-8(17)7-14-12-16-15-11(18-12)6-9-2-4-10(13)5-3-9/h2-5,8,17H,6-7H2,1H3,(H,14,16).
What are the key properties of 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 133465775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).