5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide

C13H15ClN4OS — CID 62244060

IUPAC5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
SMILESCCc1nc(NC(=O)c2cc(Cl)ccc2NN)sc1C
InChIInChI=1S/C13H15ClN4OS/c1-3-10-7(2)20-13(16-10)17-12(19)9-6-8(14)4-5-11(9)18-15/h4-6,18H,3,15H2,1-2H3,(H,16,17,19)
InChIKeyVQLMOVFFZHBXOO-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide

5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide (PubChem CID 62244060) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
PubChem CID62244060
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
SMILESCCc1nc(NC(=O)c2cc(Cl)ccc2NN)sc1C
InChIInChI=1S/C13H15ClN4OS/c1-3-10-7(2)20-13(16-10)17-12(19)9-6-8(14)4-5-11(9)18-15/h4-6,18H,3,15H2,1-2H3,(H,16,17,19)
InChIKeyVQLMOVFFZHBXOO-UHFFFAOYSA-N
XLogP3.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
4-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 81238640

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide (CID 62244060) is 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide is CCc1nc(NC(=O)c2cc(Cl)ccc2NN)sc1C.
What is the InChIKey of 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
The InChIKey is VQLMOVFFZHBXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-3-10-7(2)20-13(16-10)17-12(19)9-6-8(14)4-5-11(9)18-15/h4-6,18H,3,15H2,1-2H3,(H,16,17,19).
What are the key properties of 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide?
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide has a molecular weight of 310.81 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 62244060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).