4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide

C21H18N6O2S — CID 24615819

IUPAC4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C21H18N6O2S/c1-14-18(30-21(24-14)17-5-3-2-4-6-17)20(29)26-25-19(28)16-9-7-15(8-10-16)11-27-13-22-12-23-27/h2-10,12-13H,11H2,1H3,(H,25,28)(H,26,29)
InChIKeyXUZBTWCMHOGKIQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.83
Rot. Bonds5

About 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide

4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 24615819) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide
PubChem CID24615819
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC Name4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C21H18N6O2S/c1-14-18(30-21(24-14)17-5-3-2-4-6-17)20(29)26-25-19(28)16-9-7-15(8-10-16)11-27-13-22-12-23-27/h2-10,12-13H,11H2,1H3,(H,25,28)(H,26,29)
InChIKeyXUZBTWCMHOGKIQ-UHFFFAOYSA-N
XLogP2.83
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55454420
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-(1,2,2-trichloroethenyl)urea
CID 2797681

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide (CID 24615819) is 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is XUZBTWCMHOGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-14-18(30-21(24-14)17-5-3-2-4-6-17)20(29)26-25-19(28)16-9-7-15(8-10-16)11-27-13-22-12-23-27/h2-10,12-13H,11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 418.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24615819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).