(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide

C13H22N2OS — CID 39855018

IUPAC(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C13H22N2OS/c1-4-6-7-11(5-2)13(16)15-9-12-8-14-10(3)17-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyJVYNKBKIZBVYDC-NSHDSACASA-N
MW254.40 g/mol
LogP3.28
Rot. Bonds7

About (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide

(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide (PubChem CID 39855018) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
PubChem CID39855018
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C13H22N2OS/c1-4-6-7-11(5-2)13(16)15-9-12-8-14-10(3)17-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyJVYNKBKIZBVYDC-NSHDSACASA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide (CID 39855018) is (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide is CCCC[C@H](CC)C(=O)NCc1cnc(C)s1.
What is the InChIKey of (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The InChIKey is JVYNKBKIZBVYDC-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-7-11(5-2)13(16)15-9-12-8-14-10(3)17-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide has a molecular weight of 254.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide is sourced from PubChem (CID 39855018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).