N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine

C9H11N3S2 — CID 130662632

IUPACN-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1ncns1)c1cccs1
InChIInChI=1S/C9H11N3S2/c1-7(8-3-2-4-13-8)5-10-9-11-6-12-14-9/h2-4,6-7H,5H2,1H3,(H,10,11,12)
InChIKeyNGHQTLQVZNYRBG-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.82
Rot. Bonds4

About N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine

N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130662632) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID130662632
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1ncns1)c1cccs1
InChIInChI=1S/C9H11N3S2/c1-7(8-3-2-4-13-8)5-10-9-11-6-12-14-9/h2-4,6-7H,5H2,1H3,(H,10,11,12)
InChIKeyNGHQTLQVZNYRBG-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-(2-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483394
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644
2-propan-2-ylthiophene
CID 178128598
2-methyl-4-(1,2,4-thiadiazol-5-ylamino)butanoic acid
CID 80539555
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722142
1-thiophen-2-ylethylhydrazine
CID 18071025
N-(2-methylpentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65277217
2-pent-4-yn-2-ylthiophene
CID 83934777

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 130662632) is N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine is CC(CNc1ncns1)c1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NGHQTLQVZNYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-7(8-3-2-4-13-8)5-10-9-11-6-12-14-9/h2-4,6-7H,5H2,1H3,(H,10,11,12).
What are the key properties of N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130662632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).