2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C11H10ClN3OS — CID 2743521

IUPAC2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C11H10ClN3OS/c1-6-9(10(16)15-13)17-11(14-6)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyYGWSDBKJEBXZLC-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.38
Rot. Bonds2

About 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 2743521) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID2743521
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C11H10ClN3OS/c1-6-9(10(16)15-13)17-11(14-6)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyYGWSDBKJEBXZLC-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 2728459
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 2744514
1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
N'5-isobutyryl-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743523
2-({[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]methyl}thio)ethanohydrazide
CID 2821247
N'5-(2-methylbut-2-enoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 5703420
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 1483672
2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
CID 2794647
4-Methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 714543
2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1483667
(E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5920616

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 2743521) is 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is YGWSDBKJEBXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-9(10(16)15-13)17-11(14-6)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 267.74 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2743521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).