4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine

C10H20N4S — CID 62182204

IUPAC4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCC(C)N(CC)Cc1nnsc1NC
InChIInChI=1S/C10H20N4S/c1-5-8(3)14(6-2)7-9-10(11-4)15-13-12-9/h8,11H,5-7H2,1-4H3
InChIKeyTZFYQHBONRRDCH-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.20
Rot. Bonds6

About 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182204) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62182204
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCC(C)N(CC)Cc1nnsc1NC
InChIInChI=1S/C10H20N4S/c1-5-8(3)14(6-2)7-9-10(11-4)15-13-12-9/h8,11H,5-7H2,1-4H3
InChIKeyTZFYQHBONRRDCH-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182376
N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
CID 79491970
N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62184537
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
CID 104554389
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62183083
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182120
4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 107401410
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182823
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 78986654
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62207728
4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine
CID 62207086
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62182204) is 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine is CCC(C)N(CC)Cc1nnsc1NC.
What is the InChIKey of 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is TZFYQHBONRRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-8(3)14(6-2)7-9-10(11-4)15-13-12-9/h8,11H,5-7H2,1-4H3.
What are the key properties of 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 228.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).