[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine

C9H12N4S — CID 130549961

IUPAC[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1Cc1csnn1
InChIInChI=1S/C9H12N4S/c1-7-8(4-10)2-3-13(7)5-9-6-14-12-11-9/h2-3,6H,4-5,10H2,1H3
InChIKeyUNVKFQGEWUWOKY-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.16
Rot. Bonds3

About [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine

[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 130549961) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID130549961
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1Cc1csnn1
InChIInChI=1S/C9H12N4S/c1-7-8(4-10)2-3-13(7)5-9-6-14-12-11-9/h2-3,6H,4-5,10H2,1H3
InChIKeyUNVKFQGEWUWOKY-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine 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 [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine (CID 130549961) is [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine is Cc1c(CN)ccn1Cc1csnn1.
What is the InChIKey of [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is UNVKFQGEWUWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-8(4-10)2-3-13(7)5-9-6-14-12-11-9/h2-3,6H,4-5,10H2,1H3.
What are the key properties of [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
[2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 130549961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).