(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

C19H24N4O2S — CID 122514028

IUPAC(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(C)c(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-15(2)20-14)13-22-9-11-23(12-10-22)17-6-4-3-5-16(17)7-8-19(24)21-25/h3-8,25H,9-13H2,1-2H3,(H,21,24)/b8-7+
InChIKeyDUZDVHJLTKDYEY-BQYQJAHWSA-N
MW372.49 g/mol
LogP2.60
Rot. Bonds5

About (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 122514028) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID122514028
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(C)c(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-15(2)20-14)13-22-9-11-23(12-10-22)17-6-4-3-5-16(17)7-8-19(24)21-25/h3-8,25H,9-13H2,1-2H3,(H,21,24)/b8-7+
InChIKeyDUZDVHJLTKDYEY-BQYQJAHWSA-N
XLogP2.60
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.60
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 (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (CID 122514028) is (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is Cc1nc(C)c(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)s1.
What is the InChIKey of (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is DUZDVHJLTKDYEY-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-18(26-15(2)20-14)13-22-9-11-23(12-10-22)17-6-4-3-5-16(17)7-8-19(24)21-25/h3-8,25H,9-13H2,1-2H3,(H,21,24)/b8-7+.
What are the key properties of (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 122514028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).