5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde

C19H19NO3S — CID 158534379

IUPAC5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde
SMILESCc1cc(-c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc(C=O)c1O
InChIInChI=1S/C19H19NO3S/c1-11-6-13(7-15(10-21)18(11)22)17-8-14-9-20(5-4-16(14)24-17)19(23)12-2-3-12/h6-8,10,12,22H,2-5,9H2,1H3
InChIKeyHNTNJVJRPKOMCF-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.54
Rot. Bonds3

About 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde

5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde (PubChem CID 158534379) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde
PubChem CID158534379
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde
SMILESCc1cc(-c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc(C=O)c1O
InChIInChI=1S/C19H19NO3S/c1-11-6-13(7-15(10-21)18(11)22)17-8-14-9-20(5-4-16(14)24-17)19(23)12-2-3-12/h6-8,10,12,22H,2-5,9H2,1H3
InChIKeyHNTNJVJRPKOMCF-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methoxyphenyl]-1-phenylpropan-1-one
CID 167254512
4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid
CID 120674685
2-hydroxy-3-methoxy-5-(5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)benzaldehyde
CID 139551986
1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
CID 138998269
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
CID 154741296
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 59069334
1-[3-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-1-yl]butan-1-one
CID 138998272
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17478504
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
CID 126853103
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3S)-oxolan-3-yl]methanone
CID 129348966

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde (CID 158534379) is 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde is Cc1cc(-c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc(C=O)c1O.
What is the InChIKey of 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The InChIKey is HNTNJVJRPKOMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-11-6-13(7-15(10-21)18(11)22)17-8-14-9-20(5-4-16(14)24-17)19(23)12-2-3-12/h6-8,10,12,22H,2-5,9H2,1H3.
What are the key properties of 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde?
5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde has a molecular weight of 341.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 158534379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).