N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine

C10H20N4S — CID 62184537

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

About N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine

N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine (PubChem CID 62184537) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
PubChem CID62184537
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCCC(CC)N(C)Cc1nnsc1NC
InChIInChI=1S/C10H20N4S/c1-5-8(6-2)14(4)7-9-10(11-3)15-13-12-9/h8,11H,5-7H2,1-4H3
InChIKeyDNCICJBRDBQODS-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine (CID 62184537) is N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine is CCC(CC)N(C)Cc1nnsc1NC.
What is the InChIKey of N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The InChIKey is DNCICJBRDBQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-8(6-2)14(4)7-9-10(11-3)15-13-12-9/h8,11H,5-7H2,1-4H3.
What are the key properties of N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-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 N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).