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

C12H13N3OS — CID 82425590

IUPAC4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1ccccc1-c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C12H13N3OS/c1-7-5-3-4-6-9(7)12-14-8(2)10(17-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyYIMPCAKDKUWWFA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.03
Rot. Bonds2

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

4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82425590) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82425590
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1ccccc1-c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C12H13N3OS/c1-7-5-3-4-6-9(7)12-14-8(2)10(17-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyYIMPCAKDKUWWFA-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.03
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

2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82435959
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 122278139
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
2-[2-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22685107
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide (CID 82425590) is 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide is Cc1ccccc1-c1nc(C)c(C(=O)NN)s1.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is YIMPCAKDKUWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-5-3-4-6-9(7)12-14-8(2)10(17-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide?
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 247.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82425590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).