N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C14H15N3O4S — CID 58418143

IUPACN-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)NO)s2)cc1
InChIInChI=1S/C14H15N3O4S/c1-8(14-15-7-11(22-14)13(19)17-20)16-12(18)9-3-5-10(21-2)6-4-9/h3-8,20H,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyJMTJTHIEHARZSL-MRVPVSSYSA-N
MW321.36 g/mol
LogP1.76
Rot. Bonds5

About N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 58418143) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID58418143
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)NO)s2)cc1
InChIInChI=1S/C14H15N3O4S/c1-8(14-15-7-11(22-14)13(19)17-20)16-12(18)9-3-5-10(21-2)6-4-9/h3-8,20H,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyJMTJTHIEHARZSL-MRVPVSSYSA-N
XLogP1.76
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 58418239
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418158
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 88903428
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 58418143) is N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide is COc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)NO)s2)cc1.
What is the InChIKey of N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JMTJTHIEHARZSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8(14-15-7-11(22-14)13(19)17-20)16-12(18)9-3-5-10(21-2)6-4-9/h3-8,20H,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1.
What are the key properties of N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58418143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).