5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine

C11H13N3S — CID 744071

IUPAC5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
SMILESCC[C@@H](c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3S/c1-2-9(8-6-4-3-5-7-8)10-13-14-11(12)15-10/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyOFIPFQODAWPXGD-VIFPVBQESA-N
MW219.31 g/mol
LogP2.66
Rot. Bonds3

About 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine

5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine (PubChem CID 744071) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
PubChem CID744071
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
SMILESCC[C@@H](c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3S/c1-2-9(8-6-4-3-5-7-8)10-13-14-11(12)15-10/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyOFIPFQODAWPXGD-VIFPVBQESA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,3,4-thiadiazol-2-amine
CID 21403434
5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 2771921
5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 91425019
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 56886319
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine (CID 744071) is 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine is CC[C@@H](c1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OFIPFQODAWPXGD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-9(8-6-4-3-5-7-8)10-13-14-11(12)15-10/h3-7,9H,2H2,1H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine?
5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 744071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).