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

C15H16ClN3O2S — CID 2743523

IUPAC2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)C
InChIInChI=1S/C15H16ClN3O2S/c1-8(2)13(20)18-19-14(21)12-9(3)17-15(22-12)10-4-6-11(16)7-5-10/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyRNRRFAYKLHJWCI-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.19
Rot. Bonds3

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

2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 2743523) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide
PubChem CID2743523
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)C
InChIInChI=1S/C15H16ClN3O2S/c1-8(2)13(20)18-19-14(21)12-9(3)17-15(22-12)10-4-6-11(16)7-5-10/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyRNRRFAYKLHJWCI-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide (CID 2743523) is 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is RNRRFAYKLHJWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-8(2)13(20)18-19-14(21)12-9(3)17-15(22-12)10-4-6-11(16)7-5-10/h4-8H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide?
2-(4-chlorophenyl)-4-methyl-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 337.83 g/mol, XLogP of 3.19, 3 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-N'-(2-methylpropanoyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2743523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).