1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine

C6H13N5S — CID 137472593

IUPAC1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine
SMILESCNC(N)c1nc(C(C)N)ns1
InChIInChI=1S/C6H13N5S/c1-3(7)5-10-6(12-11-5)4(8)9-2/h3-4,9H,7-8H2,1-2H3
InChIKeyQWYVVVNLXAMQQF-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.27
Rot. Bonds3

About 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine

1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine (PubChem CID 137472593) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine
PubChem CID137472593
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine
SMILESCNC(N)c1nc(C(C)N)ns1
InChIInChI=1S/C6H13N5S/c1-3(7)5-10-6(12-11-5)4(8)9-2/h3-4,9H,7-8H2,1-2H3
InChIKeyQWYVVVNLXAMQQF-UHFFFAOYSA-N
XLogP-0.27
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
1-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399161
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305352
2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 121665690
[2-(Methylamino)ethyl]({[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]methyl})(2,2,2-trifluoroethyl)amine
CID 165494249
2-(3-Methyl-[1,2,4]thiadiazol-5-yl)-ethylamine
CID 55285356

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine?
The IUPAC name of 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine (CID 137472593) is 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine.
What is the SMILES notation for 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine?
The canonical SMILES for 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine is CNC(N)c1nc(C(C)N)ns1.
What is the InChIKey of 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine?
The InChIKey is QWYVVVNLXAMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-3(7)5-10-6(12-11-5)4(8)9-2/h3-4,9H,7-8H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine?
1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine has a molecular weight of 187.27 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)-1,2,4-thiadiazol-5-yl]-N'-methylmethanediamine is sourced from PubChem (CID 137472593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).