N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide

C11H9Cl2N3OS — CID 4174177

IUPACN'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCC(=O)NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(17)15-16-11-14-10(5-18-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyFBFQHMRQJAYZRC-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.58
Rot. Bonds3

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

N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide (PubChem CID 4174177) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
PubChem CID4174177
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCC(=O)NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(17)15-16-11-14-10(5-18-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyFBFQHMRQJAYZRC-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
2-(3-acetamidophenyl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18898990
4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 844119
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 23772582
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
CID 155250270
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454
4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 171978845

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide?
The IUPAC name of N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide (CID 4174177) is N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide.
What is the SMILES notation for N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide?
The canonical SMILES for N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide is CC(=O)NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide?
The InChIKey is FBFQHMRQJAYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6(17)15-16-11-14-10(5-18-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide?
N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide has a molecular weight of 302.19 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide is sourced from PubChem (CID 4174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).