5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C11H10N4S — CID 654218

IUPAC5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
InChIKeySCTCFEMYJYGVJN-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.19
Rot. Bonds2

About 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 654218) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID654218
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
InChIKeySCTCFEMYJYGVJN-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 654218) is 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SCTCFEMYJYGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15).
What are the key properties of 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 654218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).