4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide

C18H20N4OS — CID 50880365

IUPAC4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1
InChIInChI=1S/C18H20N4OS/c1-4-12-5-7-13(8-6-12)17(23)21-15-10(2)9-14-16(11(15)3)24-18(20-14)22-19/h5-9H,4,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDBUUQEHWFMOFLW-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.01
Rot. Bonds4

About 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide

4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 50880365) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID50880365
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1
InChIInChI=1S/C18H20N4OS/c1-4-12-5-7-13(8-6-12)17(23)21-15-10(2)9-14-16(11(15)3)24-18(20-14)22-19/h5-9H,4,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDBUUQEHWFMOFLW-UHFFFAOYSA-N
XLogP4.01
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.01
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

N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 50880720
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880234
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880375
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
CID 50880143
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-4-propan-2-yloxybenzamide
CID 50880662
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide
CID 50880111
N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]-3-propoxybenzamide
CID 50880579
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethoxybenzamide
CID 50880683
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-3-propoxybenzamide
CID 50880609
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide (CID 50880365) is 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide is CCc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is DBUUQEHWFMOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-12-5-7-13(8-6-12)17(23)21-15-10(2)9-14-16(11(15)3)24-18(20-14)22-19/h5-9H,4,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 50880365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).