(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide

C15H20N4O3S — CID 22887934

IUPAC(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCCOc1nsc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O3S/c1-2-3-8-22-14-18-15(23-19-14)17-13(21)12(16)9-10-4-6-11(20)7-5-10/h4-7,12,20H,2-3,8-9,16H2,1H3,(H,17,18,19,21)/t12-/m0/s1
InChIKeySLRSUECTXFCFRK-LBPRGKRZSA-N
MW336.42 g/mol
LogP1.93
Rot. Bonds8

About (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 22887934) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID22887934
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCCOc1nsc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O3S/c1-2-3-8-22-14-18-15(23-19-14)17-13(21)12(16)9-10-4-6-11(20)7-5-10/h4-7,12,20H,2-3,8-9,16H2,1H3,(H,17,18,19,21)/t12-/m0/s1
InChIKeySLRSUECTXFCFRK-LBPRGKRZSA-N
XLogP1.93
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 114350796
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
CID 106025742
[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino] ethyl carbonate
CID 175392655
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
CID 104982935
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide (CID 22887934) is (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide is CCCCOc1nsc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1.
What is the InChIKey of (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is SLRSUECTXFCFRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-3-8-22-14-18-15(23-19-14)17-13(21)12(16)9-10-4-6-11(20)7-5-10/h4-7,12,20H,2-3,8-9,16H2,1H3,(H,17,18,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 22887934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).