4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide

C23H19N5O3S — CID 44572581

IUPAC4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1Nc1ncc(-c2cccnc2)s1
InChIInChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30)
InChIKeyPPWZJWBTTSZJNT-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.63
Rot. Bonds6

About 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide (PubChem CID 44572581) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
PubChem CID44572581
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1Nc1ncc(-c2cccnc2)s1
InChIInChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30)
InChIKeyPPWZJWBTTSZJNT-UHFFFAOYSA-N
XLogP4.63
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Masitinib
CID 10074640
Masitinib Mesylate
CID 25024769
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11530187
4-fluoro-N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11595595
N-benzyl-4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11711734
(E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide
CID 42613483
2-[(4-methylpyridin-2-yl)amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 44453739
N-[5-[(2-tert-butylpyridine-4-carbonyl)amino]-2-methylphenyl]-2-(ethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide
CID 44453985

Frequently Asked Questions

What is the IUPAC name of 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide (CID 44572581) is 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)cc1Nc1ncc(-c2cccnc2)s1.
What is the InChIKey of 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is PPWZJWBTTSZJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30).
What are the key properties of 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide?
4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hydroxy-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 44572581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).