3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine

C14H24N2OS — CID 63332901

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1(c2nc(C(C)(C)C)cs2)CCOC1
InChIInChI=1S/C14H24N2OS/c1-10(2)16-14(6-7-17-9-14)12-15-11(8-18-12)13(3,4)5/h8,10,16H,6-7,9H2,1-5H3
InChIKeyPGBLKQDIFOISQS-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.05
Rot. Bonds3

About 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine

3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine (PubChem CID 63332901) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine
PubChem CID63332901
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1(c2nc(C(C)(C)C)cs2)CCOC1
InChIInChI=1S/C14H24N2OS/c1-10(2)16-14(6-7-17-9-14)12-15-11(8-18-12)13(3,4)5/h8,10,16H,6-7,9H2,1-5H3
InChIKeyPGBLKQDIFOISQS-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine (CID 63332901) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine is CC(C)NC1(c2nc(C(C)(C)C)cs2)CCOC1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine?
The InChIKey is PGBLKQDIFOISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)16-14(6-7-17-9-14)12-15-11(8-18-12)13(3,4)5/h8,10,16H,6-7,9H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine?
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine has a molecular weight of 268.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine is sourced from PubChem (CID 63332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).