N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C26H28N4O3S — CID 70681908

IUPACN-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(C)N(C(=O)/C=C/c1ccccc1)c1cccc(CN2CCc3nc(C(=O)NO)sc3C2)c1
InChIInChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
InChIKeyRXIWHWGDUAVETL-VAWYXSNFSA-N
MW476.60 g/mol
LogP4.28
Rot. Bonds7

About N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70681908) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID70681908
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(C)N(C(=O)/C=C/c1ccccc1)c1cccc(CN2CCc3nc(C(=O)NO)sc3C2)c1
InChIInChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
InChIKeyRXIWHWGDUAVETL-VAWYXSNFSA-N
XLogP4.28
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70681908) is N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(C)N(C(=O)/C=C/c1ccccc1)c1cccc(CN2CCc3nc(C(=O)NO)sc3C2)c1.
What is the InChIKey of N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is RXIWHWGDUAVETL-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+.
What are the key properties of N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70681908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).