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

C8H10N4S — CID 130549728

IUPAC[1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(Cc2csnn2)c1
InChIInChI=1S/C8H10N4S/c9-3-7-1-2-12(4-7)5-8-6-13-11-10-8/h1-2,4,6H,3,5,9H2
InChIKeyCPMOLSUIQDUSBA-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.85
Rot. Bonds3

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

[1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 130549728) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID130549728
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(Cc2csnn2)c1
InChIInChI=1S/C8H10N4S/c9-3-7-1-2-12(4-7)5-8-6-13-11-10-8/h1-2,4,6H,3,5,9H2
InChIKeyCPMOLSUIQDUSBA-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine (CID 130549728) is [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine is NCc1ccn(Cc2csnn2)c1.
What is the InChIKey of [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is CPMOLSUIQDUSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-3-7-1-2-12(4-7)5-8-6-13-11-10-8/h1-2,4,6H,3,5,9H2.
What are the key properties of [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine?
[1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiadiazol-4-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 130549728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).