N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine

C8H16N4S — CID 62183083

IUPACN-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(C)Cc1nnsc1NC
InChIInChI=1S/C8H16N4S/c1-4-5-12(3)6-7-8(9-2)13-11-10-7/h9H,4-6H2,1-3H3
InChIKeyQQQSQMOFGSQASF-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.42
Rot. Bonds5

About N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine

N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62183083) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
PubChem CID62183083
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(C)Cc1nnsc1NC
InChIInChI=1S/C8H16N4S/c1-4-5-12(3)6-7-8(9-2)13-11-10-7/h9H,4-6H2,1-3H3
InChIKeyQQQSQMOFGSQASF-UHFFFAOYSA-N
XLogP1.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.42
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(propyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine (CID 62183083) is N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine is CCCN(C)Cc1nnsc1NC.
What is the InChIKey of N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is QQQSQMOFGSQASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-5-12(3)6-7-8(9-2)13-11-10-7/h9H,4-6H2,1-3H3.
What are the key properties of N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine?
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 200.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62183083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).