N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide

C18H23N3O4S — CID 53326877

IUPACN'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide
SMILESCOc1cccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)15-12-26-18(19-15)20-16(22)9-4-2-3-5-10-17(23)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyKJPBQFHOLIEHNZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.60
Rot. Bonds10

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

N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide (PubChem CID 53326877) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide
PubChem CID53326877
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide
SMILESCOc1cccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)15-12-26-18(19-15)20-16(22)9-4-2-3-5-10-17(23)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyKJPBQFHOLIEHNZ-UHFFFAOYSA-N
XLogP3.60
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide (CID 53326877) is N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide is COc1cccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)c1.
What is the InChIKey of N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The InChIKey is KJPBQFHOLIEHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)15-12-26-18(19-15)20-16(22)9-4-2-3-5-10-17(23)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide?
N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide has a molecular weight of 377.47 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide is sourced from PubChem (CID 53326877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).