1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine

C13H22N2OS — CID 46784318

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCC2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(13-9-17-11(2)15-13)14-6-3-12-4-7-16-8-5-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyDCXXZTLEFCDMQW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine

1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine (PubChem CID 46784318) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine
PubChem CID46784318
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCC2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(13-9-17-11(2)15-13)14-6-3-12-4-7-16-8-5-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyDCXXZTLEFCDMQW-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine (CID 46784318) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine is Cc1nc(C(C)NCCC2CCOCC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine?
The InChIKey is DCXXZTLEFCDMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(13-9-17-11(2)15-13)14-6-3-12-4-7-16-8-5-12/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(oxan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 46784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).