2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide

C15H13N3O3S2 — CID 58418239

IUPAC2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2s1)c1ncc(C(=O)NO)s1
InChIInChI=1S/C15H13N3O3S2/c1-8(15-16-7-12(23-15)14(20)18-21)17-13(19)11-6-9-4-2-3-5-10(9)22-11/h2-8,21H,1H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyPZXXAXBJSARIMY-MRVPVSSYSA-N
MW347.42 g/mol
LogP2.97
Rot. Bonds4

About 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 58418239) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID58418239
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2s1)c1ncc(C(=O)NO)s1
InChIInChI=1S/C15H13N3O3S2/c1-8(15-16-7-12(23-15)14(20)18-21)17-13(19)11-6-9-4-2-3-5-10(9)22-11/h2-8,21H,1H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyPZXXAXBJSARIMY-MRVPVSSYSA-N
XLogP2.97
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.97
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-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418143
N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418158
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 58418239) is 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2s1)c1ncc(C(=O)NO)s1.
What is the InChIKey of 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is PZXXAXBJSARIMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-8(15-16-7-12(23-15)14(20)18-21)17-13(19)11-6-9-4-2-3-5-10(9)22-11/h2-8,21H,1H3,(H,17,19)(H,18,20)/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58418239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).