N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide

C14H17N3OS — CID 65245855

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
SMILESCc1cc(CNC(=O)c2ccc(NN)cc2)sc1C
InChIInChI=1S/C14H17N3OS/c1-9-7-13(19-10(9)2)8-16-14(18)11-3-5-12(17-15)6-4-11/h3-7,17H,8,15H2,1-2H3,(H,16,18)
InChIKeyHFNIDEHNNXUWCB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.58
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide (PubChem CID 65245855) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
PubChem CID65245855
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
SMILESCc1cc(CNC(=O)c2ccc(NN)cc2)sc1C
InChIInChI=1S/C14H17N3OS/c1-9-7-13(19-10(9)2)8-16-14(18)11-3-5-12(17-15)6-4-11/h3-7,17H,8,15H2,1-2H3,(H,16,18)
InChIKeyHFNIDEHNNXUWCB-UHFFFAOYSA-N
XLogP2.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide (CID 65245855) is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide is Cc1cc(CNC(=O)c2ccc(NN)cc2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide?
The InChIKey is HFNIDEHNNXUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-7-13(19-10(9)2)8-16-14(18)11-3-5-12(17-15)6-4-11/h3-7,17H,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide is sourced from PubChem (CID 65245855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).