(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

C16H17N3O3S — CID 166626673

IUPAC(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2ccc(N3CCOCC3)cc2)s1)NO
InChIInChI=1S/C16H17N3O3S/c20-15(18-21)6-5-14-11-17-16(23-14)12-1-3-13(4-2-12)19-7-9-22-10-8-19/h1-6,11,21H,7-10H2,(H,18,20)/b6-5+
InChIKeySJVDHEBYODYANO-AATRIKPKSA-N
MW331.40 g/mol
LogP2.17
Rot. Bonds4

About (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166626673) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166626673
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2ccc(N3CCOCC3)cc2)s1)NO
InChIInChI=1S/C16H17N3O3S/c20-15(18-21)6-5-14-11-17-16(23-14)12-1-3-13(4-2-12)19-7-9-22-10-8-19/h1-6,11,21H,7-10H2,(H,18,20)/b6-5+
InChIKeySJVDHEBYODYANO-AATRIKPKSA-N
XLogP2.17
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166626673) is (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is O=C(/C=C/c1cnc(-c2ccc(N3CCOCC3)cc2)s1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is SJVDHEBYODYANO-AATRIKPKSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-15(18-21)6-5-14-11-17-16(23-14)12-1-3-13(4-2-12)19-7-9-22-10-8-19/h1-6,11,21H,7-10H2,(H,18,20)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 331.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166626673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).