2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine

C14H26N2OS — CID 102929481

IUPAC2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
SMILESCCOC(C)(CC)c1nc(C(CN)C(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-6-14(5,17-7-2)13-16-12(9-18-13)11(8-15)10(3)4/h9-11H,6-8,15H2,1-5H3
InChIKeyWSJSFERNWNIUOO-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.50
Rot. Bonds7

About 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine

2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine (PubChem CID 102929481) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
PubChem CID102929481
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
SMILESCCOC(C)(CC)c1nc(C(CN)C(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-6-14(5,17-7-2)13-16-12(9-18-13)11(8-15)10(3)4/h9-11H,6-8,15H2,1-5H3
InChIKeyWSJSFERNWNIUOO-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine (CID 102929481) is 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine is CCOC(C)(CC)c1nc(C(CN)C(C)C)cs1.
What is the InChIKey of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is WSJSFERNWNIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-14(5,17-7-2)13-16-12(9-18-13)11(8-15)10(3)4/h9-11H,6-8,15H2,1-5H3.
What are the key properties of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine?
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 102929481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).