(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide

C15H26N2O3S — CID 95287702

IUPAC(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCO[C@@H](C)C(=O)NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O3S/c1-6-19-7-8-20-11(2)13(18)16-9-12-10-21-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyCQHDETVKHOCQKN-NSHDSACASA-N
MW314.45 g/mol
LogP2.50
Rot. Bonds8

About (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide

(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide (PubChem CID 95287702) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide
PubChem CID95287702
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCO[C@@H](C)C(=O)NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O3S/c1-6-19-7-8-20-11(2)13(18)16-9-12-10-21-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyCQHDETVKHOCQKN-NSHDSACASA-N
XLogP2.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 94796279
(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 94796280
(2R)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-ethoxyethoxy)propanamide
CID 52531312
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
CID 120511468
(2S,3S)-2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194455
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide?
The IUPAC name of (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide (CID 95287702) is (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide?
The canonical SMILES for (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide is CCOCCO[C@@H](C)C(=O)NCc1csc(C(C)(C)C)n1.
What is the InChIKey of (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide?
The InChIKey is CQHDETVKHOCQKN-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-19-7-8-20-11(2)13(18)16-9-12-10-21-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide?
(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide has a molecular weight of 314.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide is sourced from PubChem (CID 95287702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).