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

C8H15N3S — CID 58970590

IUPACN,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(N(C)C)n1
InChIInChI=1S/C8H15N3S/c1-6(2)5-7-9-8(11(3)4)12-10-7/h6H,5H2,1-4H3
InChIKeyTZZDIAVDAMIDOC-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.80
Rot. Bonds3

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

N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 58970590) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID58970590
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(N(C)C)n1
InChIInChI=1S/C8H15N3S/c1-6(2)5-7-9-8(11(3)4)12-10-7/h6H,5H2,1-4H3
InChIKeyTZZDIAVDAMIDOC-UHFFFAOYSA-N
XLogP1.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 58970590) is N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TZZDIAVDAMIDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)5-7-9-8(11(3)4)12-10-7/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 185.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 58970590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).