(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide

C11H20N2OS — CID 40537911

IUPAC(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)NC1=NCCS1
InChIInChI=1S/C11H20N2OS/c1-3-5-6-9(4-2)10(14)13-11-12-7-8-15-11/h9H,3-8H2,1-2H3,(H,12,13,14)/t9-/m0/s1
InChIKeyBOJOIVUYTYKROJ-VIFPVBQESA-N
MW228.36 g/mol
LogP2.42
Rot. Bonds5

About (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide

(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide (PubChem CID 40537911) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide
PubChem CID40537911
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)NC1=NCCS1
InChIInChI=1S/C11H20N2OS/c1-3-5-6-9(4-2)10(14)13-11-12-7-8-15-11/h9H,3-8H2,1-2H3,(H,12,13,14)/t9-/m0/s1
InChIKeyBOJOIVUYTYKROJ-VIFPVBQESA-N
XLogP2.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 4195204
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
2-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
CID 3151966
(2S)-2-ethylhexanehydrazide
CID 40549650
methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methylthiophene-3-carboxylate
CID 4190040
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 5099630
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
2-ethyl-N-(1H-imidazol-2-yl)hexanamide
CID 63565385
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
2-ethyl-N-pentylhexanamide
CID 5123867
2-ethyl-N-(6-methyl-2-pyridinyl)hexanamide
CID 3528260

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide?
The IUPAC name of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide (CID 40537911) is (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide.
What is the SMILES notation for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide?
The canonical SMILES for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide is CCCC[C@H](CC)C(=O)NC1=NCCS1.
What is the InChIKey of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide?
The InChIKey is BOJOIVUYTYKROJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-5-6-9(4-2)10(14)13-11-12-7-8-15-11/h9H,3-8H2,1-2H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide?
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide has a molecular weight of 228.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 40537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).