(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

C12H18N2O2S — CID 164635377

IUPAC(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1nccs1)C1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-9(10-2-5-16-6-3-10)12(15)14-8-11-13-4-7-17-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyOMNWAPIEDWZYLW-VIFPVBQESA-N
MW254.35 g/mol
LogP1.82
Rot. Bonds4

About (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 164635377) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID164635377
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1nccs1)C1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-9(10-2-5-16-6-3-10)12(15)14-8-11-13-4-7-17-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyOMNWAPIEDWZYLW-VIFPVBQESA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 164635377) is (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is C[C@H](C(=O)NCc1nccs1)C1CCOCC1.
What is the InChIKey of (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is OMNWAPIEDWZYLW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(10-2-5-16-6-3-10)12(15)14-8-11-13-4-7-17-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 254.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 164635377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).