N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine

C10H19N3S2 — CID 133490988

IUPACN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3
InChIKeyAIOBMIOYAPQKNC-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.54
Rot. Bonds6

About N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133490988) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133490988
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3
InChIKeyAIOBMIOYAPQKNC-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 133490988) is N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is CSCCN(C)c1nc(CC(C)C)ns1.
What is the InChIKey of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AIOBMIOYAPQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133490988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).