N-(thiadiazol-4-ylmethyl)pyrrol-1-amine

C7H8N4S — CID 79089650

IUPACN-(thiadiazol-4-ylmethyl)pyrrol-1-amine
SMILESc1ccn(NCc2csnn2)c1
InChIInChI=1S/C7H8N4S/c1-2-4-11(3-1)8-5-7-6-12-10-9-7/h1-4,6,8H,5H2
InChIKeyIBFLMVGJQJCOFW-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.08
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)pyrrol-1-amine

N-(thiadiazol-4-ylmethyl)pyrrol-1-amine (PubChem CID 79089650) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)pyrrol-1-amine
PubChem CID79089650
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC NameN-(thiadiazol-4-ylmethyl)pyrrol-1-amine
SMILESc1ccn(NCc2csnn2)c1
InChIInChI=1S/C7H8N4S/c1-2-4-11(3-1)8-5-7-6-12-10-9-7/h1-4,6,8H,5H2
InChIKeyIBFLMVGJQJCOFW-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(thiadiazol-4-ylmethyl)pyrrol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)pyrrol-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)pyrrol-1-amine (CID 79089650) is N-(thiadiazol-4-ylmethyl)pyrrol-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)pyrrol-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)pyrrol-1-amine is c1ccn(NCc2csnn2)c1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)pyrrol-1-amine?
The InChIKey is IBFLMVGJQJCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-4-11(3-1)8-5-7-6-12-10-9-7/h1-4,6,8H,5H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)pyrrol-1-amine?
N-(thiadiazol-4-ylmethyl)pyrrol-1-amine has a molecular weight of 180.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)pyrrol-1-amine is sourced from PubChem (CID 79089650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).