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

C10H19N3S — CID 71101016

IUPACN-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC(C)C(C)(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(10(2,3)4)6-8-12-9(11-5)14-13-8/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyYYWTZWSWEJFSIB-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.80
Rot. Bonds3

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

N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 71101016) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID71101016
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CC(C)C(C)(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-7(10(2,3)4)6-8-12-9(11-5)14-13-8/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyYYWTZWSWEJFSIB-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine (CID 71101016) is N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine is CNc1nc(CC(C)C(C)(C)C)ns1.
What is the InChIKey of N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YYWTZWSWEJFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(10(2,3)4)6-8-12-9(11-5)14-13-8/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,3,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71101016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).