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

C13H21N3OS — CID 133473691

IUPACN-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC2CCOC(C3CC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-8(2)12-15-16-13(18-12)14-10-5-6-17-11(7-10)9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16)
InChIKeyLGVNLZWAQOHISG-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.03
Rot. Bonds4

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

N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133473691) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133473691
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC2CCOC(C3CC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-8(2)12-15-16-13(18-12)14-10-5-6-17-11(7-10)9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16)
InChIKeyLGVNLZWAQOHISG-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 133473691) is N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NC2CCOC(C3CC3)C2)s1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LGVNLZWAQOHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)12-15-16-13(18-12)14-10-5-6-17-11(7-10)9-3-4-9/h8-11H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133473691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).