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

C20H18ClN3O2S2 — CID 78817586

IUPAC2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCc2sccc2C1c1cccs1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2S2/c21-15-5-2-1-4-13(15)20(26)23-22-18(25)12-24-9-7-16-14(8-11-28-16)19(24)17-6-3-10-27-17/h1-6,8,10-11,19H,7,9,12H2,(H,22,25)(H,23,26)
InChIKeyASYZHUZVSKGTFA-UHFFFAOYSA-N
MW431.97 g/mol
LogP3.87
Rot. Bonds4

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

2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide (PubChem CID 78817586) has the molecular formula C20H18ClN3O2S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
PubChem CID78817586
Molecular FormulaC20H18ClN3O2S2
Molecular Weight431.97 g/mol
Exact Mass431.05
IUPAC Name2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
SMILESO=C(CN1CCc2sccc2C1c1cccs1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2S2/c21-15-5-2-1-4-13(15)20(26)23-22-18(25)12-24-9-7-16-14(8-11-28-16)19(24)17-6-3-10-27-17/h1-6,8,10-11,19H,7,9,12H2,(H,22,25)(H,23,26)
InChIKeyASYZHUZVSKGTFA-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24589322
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-(5-bromo-2-pyridinyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46667401
N-(5-chloro-2-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128720
N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128652
N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide (CID 78817586) is 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide is O=C(CN1CCc2sccc2C1c1cccs1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
The InChIKey is ASYZHUZVSKGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S2/c21-15-5-2-1-4-13(15)20(26)23-22-18(25)12-24-9-7-16-14(8-11-28-16)19(24)17-6-3-10-27-17/h1-6,8,10-11,19H,7,9,12H2,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide has a molecular weight of 431.97 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide is sourced from PubChem (CID 78817586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).