N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C18H19N3O2S — CID 9160970

IUPACN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C18H19N3O2S/c1-12-16(24-18(19-12)14-9-3-2-4-10-14)17(23)21-20-15(22)11-13-7-5-6-8-13/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyHRBJITOQSCOTJE-ZDUSSCGKSA-N
MW341.44 g/mol
LogP3.24
Rot. Bonds4

About N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 9160970) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID9160970
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C18H19N3O2S/c1-12-16(24-18(19-12)14-9-3-2-4-10-14)17(23)21-20-15(22)11-13-7-5-6-8-13/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyHRBJITOQSCOTJE-ZDUSSCGKSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
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4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
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'-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
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N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-(2-cyclopent-2-en-1-ylacetyl)-4-methylbenzohydrazide
CID 46652039
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 24642983

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 9160970) is N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@H]1C=CCC1.
What is the InChIKey of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HRBJITOQSCOTJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-16(24-18(19-12)14-9-3-2-4-10-14)17(23)21-20-15(22)11-13-7-5-6-8-13/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 341.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9160970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).