2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C14H14ClN3OS — CID 133360999

IUPAC2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CNc1ccnc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C14H14ClN3OS/c15-13-7-11(1-4-16-13)17-8-14(19)18-5-2-12-10(9-18)3-6-20-12/h1,3-4,6-7H,2,5,8-9H2,(H,16,17)
InChIKeyGYZQKKYWJGSBFC-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 133360999) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID133360999
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CNc1ccnc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C14H14ClN3OS/c15-13-7-11(1-4-16-13)17-8-14(19)18-5-2-12-10(9-18)3-6-20-12/h1,3-4,6-7H,2,5,8-9H2,(H,16,17)
InChIKeyGYZQKKYWJGSBFC-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388490
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-ethylanilino)ethanone
CID 43388508
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-[(6-bromoquinolin-4-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285219
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
2-(4-chloro-2-nitroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285240
2-(2-chloro-4-nitroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285238
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-N-methylbenzamide
CID 41395624

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 133360999) is 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(CNc1ccnc(Cl)c1)N1CCc2sccc2C1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is GYZQKKYWJGSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-13-7-11(1-4-16-13)17-8-14(19)18-5-2-12-10(9-18)3-6-20-12/h1,3-4,6-7H,2,5,8-9H2,(H,16,17).
What are the key properties of 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 307.81 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 133360999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).