(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide

C14H16N2O3S — CID 10968315

IUPAC(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESC=CCCOc1ccc(C2=N[C@@H](C(=O)NO)CS2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-3-8-19-11-6-4-10(5-7-11)14-15-12(9-20-14)13(17)16-18/h2,4-7,12,18H,1,3,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyXYKYFJMHLQAEBE-GFCCVEGCSA-N
MW292.36 g/mol
LogP2.01
Rot. Bonds6

About (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide

(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 10968315) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID10968315
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESC=CCCOc1ccc(C2=N[C@@H](C(=O)NO)CS2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-3-8-19-11-6-4-10(5-7-11)14-15-12(9-20-14)13(17)16-18/h2,4-7,12,18H,1,3,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyXYKYFJMHLQAEBE-GFCCVEGCSA-N
XLogP2.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (4S)-2-(4-but-3-enoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11098286
2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol
CID 59143759
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 82723067
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
2-[(4-but-3-enoxyphenoxy)methyl]oxirane
CID 57158633
3-[3-(4-but-3-enoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871640
3-methyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43353957
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
4-(8-but-3-enoxyoctoxy)benzoic acid
CID 19797910
2-(4-but-3-enoxyphenyl)-1,3-dioxolane
CID 134895212

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 10968315) is (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide is C=CCCOc1ccc(C2=N[C@@H](C(=O)NO)CS2)cc1.
What is the InChIKey of (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is XYKYFJMHLQAEBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-3-8-19-11-6-4-10(5-7-11)14-15-12(9-20-14)13(17)16-18/h2,4-7,12,18H,1,3,8-9H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide?
(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10968315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).