N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide

C17H13BrClN3O2S2 — CID 55857445

IUPACN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C17H13BrClN3O2S2/c18-11-6-14(25-8-11)17-20-13(9-26-17)7-16(24)22-21-15(23)5-10-1-3-12(19)4-2-10/h1-4,6,8-9H,5,7H2,(H,21,23)(H,22,24)
InChIKeyZMTLBQHQAJBWAT-UHFFFAOYSA-N
MW470.80 g/mol
LogP4.22
Rot. Bonds5

About N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide

N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide (PubChem CID 55857445) has the molecular formula C17H13BrClN3O2S2 and a molecular weight of 470.80 g/mol. Its IUPAC name is N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
PubChem CID55857445
Molecular FormulaC17H13BrClN3O2S2
Molecular Weight470.80 g/mol
Exact Mass468.93
IUPAC NameN'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C17H13BrClN3O2S2/c18-11-6-14(25-8-11)17-20-13(9-26-17)7-16(24)22-21-15(23)5-10-1-3-12(19)4-2-10/h1-4,6,8-9H,5,7H2,(H,21,23)(H,22,24)
InChIKeyZMTLBQHQAJBWAT-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-5-chloro-2-hydroxybenzohydrazide
CID 55855781
3-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119236509
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
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-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55884605
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95652564
propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 56546933
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 34056496
methyl (2R)-2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoate
CID 52687885
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide?
The IUPAC name of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide (CID 55857445) is N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide?
The InChIKey is ZMTLBQHQAJBWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O2S2/c18-11-6-14(25-8-11)17-20-13(9-26-17)7-16(24)22-21-15(23)5-10-1-3-12(19)4-2-10/h1-4,6,8-9H,5,7H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide?
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide has a molecular weight of 470.80 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2-(4-chlorophenyl)acetohydrazide is sourced from PubChem (CID 55857445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).