N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide

C16H11BrClN3O3S2 — CID 55855781

IUPACN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide
SMILESO=C(Cc1csc(-c2cc(Br)cs2)n1)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H11BrClN3O3S2/c17-8-3-13(25-6-8)16-19-10(7-26-16)5-14(23)20-21-15(24)11-4-9(18)1-2-12(11)22/h1-4,6-7,22H,5H2,(H,20,23)(H,21,24)
InChIKeyRGARRNOYWSBCOY-UHFFFAOYSA-N
MW472.77 g/mol
LogP4.00
Rot. Bonds4

About N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide

N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide (PubChem CID 55855781) has the molecular formula C16H11BrClN3O3S2 and a molecular weight of 472.77 g/mol. Its IUPAC name is N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide
PubChem CID55855781
Molecular FormulaC16H11BrClN3O3S2
Molecular Weight472.77 g/mol
Exact Mass470.91
IUPAC NameN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide
SMILESO=C(Cc1csc(-c2cc(Br)cs2)n1)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H11BrClN3O3S2/c17-8-3-13(25-6-8)16-19-10(7-26-16)5-14(23)20-21-15(24)11-4-9(18)1-2-12(11)22/h1-4,6-7,22H,5H2,(H,20,23)(H,21,24)
InChIKeyRGARRNOYWSBCOY-UHFFFAOYSA-N
XLogP4.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.77
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 55857445
3-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119236509
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55884605
propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 56546933
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95652564
N'-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 17495634
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 47293285
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 55884476
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55855510
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55886169
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 55856664

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide (CID 55855781) is N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide is O=C(Cc1csc(-c2cc(Br)cs2)n1)NNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide?
The InChIKey is RGARRNOYWSBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O3S2/c17-8-3-13(25-6-8)16-19-10(7-26-16)5-14(23)20-21-15(24)11-4-9(18)1-2-12(11)22/h1-4,6-7,22H,5H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide?
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide has a molecular weight of 472.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-5-chloro-2-hydroxybenzohydrazide is sourced from PubChem (CID 55855781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).