5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine

C10H11N3S — CID 2772302

IUPAC5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)
InChIKeyKFYSQDMAJLTMTR-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.27
Rot. Bonds2

About 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine

5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2772302) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID2772302
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)
InChIKeyKFYSQDMAJLTMTR-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine (CID 2772302) is 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine is CC(c1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KFYSQDMAJLTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13).
What are the key properties of 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine?
5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 205.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2772302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).