N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 103988247

IUPACN-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CC2CCOC2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)6-8-4-5-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeySHZPGTZUZXVIGX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.33
Rot. Bonds3

About N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103988247) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103988247
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CC2CCOC2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)6-8-4-5-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeySHZPGTZUZXVIGX-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65268388
N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268497
N-(oxolan-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271764
N-(oxolan-3-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271766
N-(oxan-4-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274272
N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274328
3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274329
N-tert-butyl-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329137
N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329186
N-tert-butyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65330647
N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334095
3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65334744

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 103988247) is N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1nc(CC2CCOC2)ns1.
What is the InChIKey of N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SHZPGTZUZXVIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)6-8-4-5-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103988247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).