(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide

C13H20N2O2S — CID 164634204

IUPAC(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCc1cnc(CNC(=O)[C@@H](C)C2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-9-7-14-12(18-9)8-15-13(16)10(2)11-3-5-17-6-4-11/h7,10-11H,3-6,8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyPZGUPRZQVRWZDJ-JTQLQIEISA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds4

About (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide

(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 164634204) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID164634204
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCc1cnc(CNC(=O)[C@@H](C)C2CCOCC2)s1
InChIInChI=1S/C13H20N2O2S/c1-9-7-14-12(18-9)8-15-13(16)10(2)11-3-5-17-6-4-11/h7,10-11H,3-6,8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyPZGUPRZQVRWZDJ-JTQLQIEISA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (CID 164634204) is (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is Cc1cnc(CNC(=O)[C@@H](C)C2CCOCC2)s1.
What is the InChIKey of (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is PZGUPRZQVRWZDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-14-12(18-9)8-15-13(16)10(2)11-3-5-17-6-4-11/h7,10-11H,3-6,8H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
(2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 164634204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).