N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

C10H19N3OS — CID 102985140

IUPACN-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)OCc1nnc(NCC)s1
InChIInChI=1S/C10H19N3OS/c1-4-6-8(3)14-7-9-12-13-10(15-9)11-5-2/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeySABCKQDHENYNCG-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.68
Rot. Bonds7

About N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 102985140) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID102985140
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)OCc1nnc(NCC)s1
InChIInChI=1S/C10H19N3OS/c1-4-6-8(3)14-7-9-12-13-10(15-9)11-5-2/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeySABCKQDHENYNCG-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 102985140) is N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CCCC(C)OCc1nnc(NCC)s1.
What is the InChIKey of N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SABCKQDHENYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-6-8(3)14-7-9-12-13-10(15-9)11-5-2/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102985140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).