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

C10H17N3OS — CID 65271604

IUPACN-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2CCCO2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyDPOQHJSFGNRVME-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.25
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65271604) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65271604
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2CCCO2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyDPOQHJSFGNRVME-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65271604) is N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is DPOQHJSFGNRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)11-6-8-4-3-5-14-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).