(5-methylthiadiazol-4-yl)methanamine

C4H7N3S — CID 82593778

IUPAC(5-methylthiadiazol-4-yl)methanamine
SMILESCc1snnc1CN
InChIInChI=1S/C4H7N3S/c1-3-4(2-5)6-7-8-3/h2,5H2,1H3
InChIKeyHRJGGNWDZGSAQF-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.31
Rot. Bonds1

About (5-methylthiadiazol-4-yl)methanamine

(5-methylthiadiazol-4-yl)methanamine (PubChem CID 82593778) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is (5-methylthiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiadiazol-4-yl)methanamine
PubChem CID82593778
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name(5-methylthiadiazol-4-yl)methanamine
SMILESCc1snnc1CN
InChIInChI=1S/C4H7N3S/c1-3-4(2-5)6-7-8-3/h2,5H2,1H3
InChIKeyHRJGGNWDZGSAQF-UHFFFAOYSA-N
XLogP0.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1,2,3-thiadiazol-5-yl)methanamine
CID 18327525
5-Methyl-1,2,3-thiadiazole-4-carbothioamide
CID 129743711
(4-Methyl-1,2,3-thiadiazol-5-yl)methanamine hydrochloride
CID 18327524
4-Methyl-[1,2,3]thiadiazole-5-carbothioic acid amide
CID 55250823
N-methyl-1-(4-methyl-1,2,3-thiadiazol-5-yl)methanamine
CID 25220776
(4-Methylthiadiazol-5-yl)methylhydrazine
CID 65199361
N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 65199416
N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 65199417
Methyl[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine hydrochloride
CID 75485268
5-(Azidomethyl)-4-methyl-1,2,3-thiadiazole
CID 130600027
2-[(4-Methylthiadiazol-5-yl)methyl]guanidine
CID 130935246
4-Methyl-5-[(sulfamoylamino)methyl]thiadiazole
CID 131110582

Frequently Asked Questions

What is the IUPAC name of (5-methylthiadiazol-4-yl)methanamine?
The IUPAC name of (5-methylthiadiazol-4-yl)methanamine (CID 82593778) is (5-methylthiadiazol-4-yl)methanamine.
What is the SMILES notation for (5-methylthiadiazol-4-yl)methanamine?
The canonical SMILES for (5-methylthiadiazol-4-yl)methanamine is Cc1snnc1CN.
What is the InChIKey of (5-methylthiadiazol-4-yl)methanamine?
The InChIKey is HRJGGNWDZGSAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-3-4(2-5)6-7-8-3/h2,5H2,1H3.
What are the key properties of (5-methylthiadiazol-4-yl)methanamine?
(5-methylthiadiazol-4-yl)methanamine has a molecular weight of 129.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiadiazol-4-yl)methanamine is sourced from PubChem (CID 82593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).