N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H20N4O3S2 — CID 71468392

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1/C=C/c1ccccc1)NO
InChIInChI=1S/C20H20N4O3S2/c25-16(24-27)8-4-5-11-21-18(26)17-15(10-9-14-6-2-1-3-7-14)29-20(23-17)19-22-12-13-28-19/h1-3,6-7,9-10,12-13,27H,4-5,8,11H2,(H,21,26)(H,24,25)/b10-9+
InChIKeyMCSKWFPFTLAJTE-MDZDMXLPSA-N
MW428.54 g/mol
LogP3.84
Rot. Bonds9

About N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468392) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468392
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nccs2)sc1/C=C/c1ccccc1)NO
InChIInChI=1S/C20H20N4O3S2/c25-16(24-27)8-4-5-11-21-18(26)17-15(10-9-14-6-2-1-3-7-14)29-20(23-17)19-22-12-13-28-19/h1-3,6-7,9-10,12-13,27H,4-5,8,11H2,(H,21,26)(H,24,25)/b10-9+
InChIKeyMCSKWFPFTLAJTE-MDZDMXLPSA-N
XLogP3.84
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468392) is N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1/C=C/c1ccccc1)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MCSKWFPFTLAJTE-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-16(24-27)8-4-5-11-21-18(26)17-15(10-9-14-6-2-1-3-7-14)29-20(23-17)19-22-12-13-28-19/h1-3,6-7,9-10,12-13,27H,4-5,8,11H2,(H,21,26)(H,24,25)/b10-9+.
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.84, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-2-phenylethenyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).