N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

C16H12ClN3O2S2 — CID 46450564

IUPACN'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12ClN3O2S2/c17-12-3-1-10(2-4-12)7-14(21)19-20-15(22)13-9-24-16(18-13)11-5-6-23-8-11/h1-6,8-9H,7H2,(H,19,21)(H,20,22)
InChIKeyQZHFPZFZSQWTEL-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.53
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46450564) has the molecular formula C16H12ClN3O2S2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46450564
Molecular FormulaC16H12ClN3O2S2
Molecular Weight377.88 g/mol
Exact Mass377.01
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12ClN3O2S2/c17-12-3-1-10(2-4-12)7-14(21)19-20-15(22)13-9-24-16(18-13)11-5-6-23-8-11/h1-6,8-9H,7H2,(H,19,21)(H,20,22)
InChIKeyQZHFPZFZSQWTEL-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.53
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-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 34056496
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9085814
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (CID 46450564) is N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is QZHFPZFZSQWTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S2/c17-12-3-1-10(2-4-12)7-14(21)19-20-15(22)13-9-24-16(18-13)11-5-6-23-8-11/h1-6,8-9H,7H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 377.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46450564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).