[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea

C21H21N5O3S — CID 24642983

IUPAC[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(NC(N)=O)c1ccccc1
InChIInChI=1S/C21H21N5O3S/c1-13-18(30-20(23-13)15-10-6-3-7-11-15)19(28)26-25-17(27)12-16(24-21(22)29)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,25,27)(H,26,28)(H3,22,24,29)
InChIKeyIMHCFTTYWJBNCT-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.68
Rot. Bonds6

About [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea

[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea (PubChem CID 24642983) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea.

Molecular Properties

Compound Name[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
PubChem CID24642983
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(NC(N)=O)c1ccccc1
InChIInChI=1S/C21H21N5O3S/c1-13-18(30-20(23-13)15-10-6-3-7-11-15)19(28)26-25-17(27)12-16(24-21(22)29)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,25,27)(H,26,28)(H3,22,24,29)
InChIKeyIMHCFTTYWJBNCT-UHFFFAOYSA-N
XLogP2.68
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
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
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
N'-[2-(3-fluorophenyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418648
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721356
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea?
The IUPAC name of [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea (CID 24642983) is [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea.
What is the SMILES notation for [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea?
The canonical SMILES for [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(NC(N)=O)c1ccccc1.
What is the InChIKey of [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea?
The InChIKey is IMHCFTTYWJBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-13-18(30-20(23-13)15-10-6-3-7-11-15)19(28)26-25-17(27)12-16(24-21(22)29)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,25,27)(H,26,28)(H3,22,24,29).
What are the key properties of [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea?
[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea has a molecular weight of 423.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea is sourced from PubChem (CID 24642983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).