N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide

C18H18N4O4S — CID 176893444

IUPACN-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide
SMILESCOc1cccc2sc(NCC(=O)Nc3ccc(CC(=O)NO)cc3)nc12
InChIInChI=1S/C18H18N4O4S/c1-26-13-3-2-4-14-17(13)21-18(27-14)19-10-16(24)20-12-7-5-11(6-8-12)9-15(23)22-25/h2-8,25H,9-10H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyKJBNYWTYAFOOOF-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.40
Rot. Bonds7

About N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide

N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide (PubChem CID 176893444) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide
PubChem CID176893444
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide
SMILESCOc1cccc2sc(NCC(=O)Nc3ccc(CC(=O)NO)cc3)nc12
InChIInChI=1S/C18H18N4O4S/c1-26-13-3-2-4-14-17(13)21-18(27-14)19-10-16(24)20-12-7-5-11(6-8-12)9-15(23)22-25/h2-8,25H,9-10H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyKJBNYWTYAFOOOF-UHFFFAOYSA-N
XLogP2.40
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide (CID 176893444) is N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide is COc1cccc2sc(NCC(=O)Nc3ccc(CC(=O)NO)cc3)nc12.
What is the InChIKey of N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide?
The InChIKey is KJBNYWTYAFOOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-26-13-3-2-4-14-17(13)21-18(27-14)19-10-16(24)20-12-7-5-11(6-8-12)9-15(23)22-25/h2-8,25H,9-10H2,1H3,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide?
N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide has a molecular weight of 386.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 176893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).