N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 71850467

IUPACN-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCNc1nnc(C(C)C)s1
InChIInChI=1S/C10H19N3S/c1-7(2)5-6-11-10-13-12-9(14-10)8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKeyCSICBAYTORFOQB-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.12
Rot. Bonds5

About N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 71850467) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID71850467
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCNc1nnc(C(C)C)s1
InChIInChI=1S/C10H19N3S/c1-7(2)5-6-11-10-13-12-9(14-10)8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKeyCSICBAYTORFOQB-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 71850467) is N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)CCNc1nnc(C(C)C)s1.
What is the InChIKey of N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is CSICBAYTORFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)5-6-11-10-13-12-9(14-10)8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13).
What are the key properties of N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71850467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).