(5-methyl-1,3,4-thiadiazol-2-yl)methanamine

C4H7N3S — CID 11615232

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCc1nnc(CN)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
InChIKeyBPPLZEYBPSFHTO-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.31
Rot. Bonds1

About (5-methyl-1,3,4-thiadiazol-2-yl)methanamine

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 11615232) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID11615232
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCc1nnc(CN)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
InChIKeyBPPLZEYBPSFHTO-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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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine (CID 11615232) is (5-methyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl)methanamine is Cc1nnc(CN)s1.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is BPPLZEYBPSFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3.
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-methyl-1,3,4-thiadiazol-2-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-methyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 11615232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).