N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C23H23N5O3S — CID 70684026

IUPACN-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(c1ccc(NC(=O)/C=C/c2ccccc2)nc1)N1CCc2nc(C(=O)NO)sc2C1
InChIInChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
InChIKeyWQKUDUNZTFANRI-JXMROGBWSA-N
MW449.54 g/mol
LogP3.43
Rot. Bonds6

About N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70684026) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID70684026
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(c1ccc(NC(=O)/C=C/c2ccccc2)nc1)N1CCc2nc(C(=O)NO)sc2C1
InChIInChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
InChIKeyWQKUDUNZTFANRI-JXMROGBWSA-N
XLogP3.43
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70684026) is N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(c1ccc(NC(=O)/C=C/c2ccccc2)nc1)N1CCc2nc(C(=O)NO)sc2C1.
What is the InChIKey of N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is WQKUDUNZTFANRI-JXMROGBWSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+.
What are the key properties of N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]-3-pyridinyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70684026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).