N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C19H20N4O4S — CID 70696578

IUPACN-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=CCCC(=O)Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25)
InChIKeyOWHBIYPVUQYBPR-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.37
Rot. Bonds6

About N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70696578) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID70696578
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=CCCC(=O)Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25)
InChIKeyOWHBIYPVUQYBPR-UHFFFAOYSA-N
XLogP2.37
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70696578) is N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is C=CCCC(=O)Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1.
What is the InChIKey of N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is OWHBIYPVUQYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25).
What are the key properties of N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-(pent-4-enoylamino)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).