N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

C18H24N4O4S — CID 53322484

IUPACN-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESCOc1ccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)cc1N
InChIInChI=1S/C18H24N4O4S/c1-26-15-9-8-12(10-13(15)19)14-11-27-18(20-14)21-16(23)6-4-2-3-5-7-17(24)22-25/h8-11,25H,2-7,19H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyCLTRGCOQWFIZID-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.19
Rot. Bonds10

About N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (PubChem CID 53322484) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
PubChem CID53322484
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESCOc1ccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)cc1N
InChIInChI=1S/C18H24N4O4S/c1-26-15-9-8-12(10-13(15)19)14-11-27-18(20-14)21-16(23)6-4-2-3-5-7-17(24)22-25/h8-11,25H,2-7,19H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyCLTRGCOQWFIZID-UHFFFAOYSA-N
XLogP3.19
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

T16AInh-A01
CID 135460621
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine hydrobromide
CID 16681989
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
N-({[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)butanamide
CID 802145
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-butyramide
CID 838730
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2109085
4-(4-Butoxy-3-nitrophenyl)-1,3-thiazol-2-amine
CID 2901393
4-(3-Nitro-4-propoxyphenyl)-1,3-thiazol-2-amine
CID 2902942
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4540182
2-[2-[(2-methoxyphenyl)carbamoylamino]thiazol-4-yl]-N-p-anisyl-acetamide
CID 16832534

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (CID 53322484) is N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is COc1ccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)cc1N.
What is the InChIKey of N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The InChIKey is CLTRGCOQWFIZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-26-15-9-8-12(10-13(15)19)14-11-27-18(20-14)21-16(23)6-4-2-3-5-7-17(24)22-25/h8-11,25H,2-7,19H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide has a molecular weight of 392.48 g/mol, XLogP of 3.19, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 53322484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).