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

C8H15N3S — CID 130637288

IUPACN,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC(C)C)s1
InChIInChI=1S/C8H15N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h6H,5H2,1-4H3
InChIKeyGNCFCZQOOLKSOS-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.94
Rot. Bonds3

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

N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130637288) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID130637288
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC(C)C)s1
InChIInChI=1S/C8H15N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h6H,5H2,1-4H3
InChIKeyGNCFCZQOOLKSOS-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 130637288) is N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)CC(C)C)s1.
What is the InChIKey of N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GNCFCZQOOLKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h6H,5H2,1-4H3.
What are the key properties of N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130637288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).