2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide

C16H16ClN3O2S — CID 18138052

IUPAC2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCc2sccc2C1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)16(22)19-18-15(21)10-20-7-5-14-11(9-20)6-8-23-14/h1-4,6,8H,5,7,9-10H2,(H,18,21)(H,19,22)
InChIKeyXNTYEFUMCSJZTF-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide (PubChem CID 18138052) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
PubChem CID18138052
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCc2sccc2C1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)16(22)19-18-15(21)10-20-7-5-14-11(9-20)6-8-23-14/h1-4,6,8H,5,7,9-10H2,(H,18,21)(H,19,22)
InChIKeyXNTYEFUMCSJZTF-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 71882017
2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 78817586
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137945
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide (CID 18138052) is 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide is O=C(CN1CCc2sccc2C1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The InChIKey is XNTYEFUMCSJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)16(22)19-18-15(21)10-20-7-5-14-11(9-20)6-8-23-14/h1-4,6,8H,5,7,9-10H2,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide has a molecular weight of 349.84 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18138052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).