cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C18H19NOS — CID 7349676

IUPACcyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1ccc([C@H]2c3ccsc3CCN2C(=O)C2CC2)cc1
InChIInChI=1S/C18H19NOS/c1-12-2-4-13(5-3-12)17-15-9-11-21-16(15)8-10-19(17)18(20)14-6-7-14/h2-5,9,11,14,17H,6-8,10H2,1H3/t17-/m0/s1
InChIKeyOBIYSCIGYWQGNQ-KRWDZBQOSA-N
MW297.42 g/mol
LogP3.94
Rot. Bonds2

About cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 7349676) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID7349676
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Namecyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1ccc([C@H]2c3ccsc3CCN2C(=O)C2CC2)cc1
InChIInChI=1S/C18H19NOS/c1-12-2-4-13(5-3-12)17-15-9-11-21-16(15)8-10-19(17)18(20)14-6-7-14/h2-5,9,11,14,17H,6-8,10H2,1H3/t17-/m0/s1
InChIKeyOBIYSCIGYWQGNQ-KRWDZBQOSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 51073766
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 3561787
N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 7361188
(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7364624
1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone
CID 7416702
tert-butyl-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7347828
1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]octan-1-one
CID 4317824
N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 42896733
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 4000694
N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 7495638
cyclopropyl-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7231439

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 7349676) is cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1ccc([C@H]2c3ccsc3CCN2C(=O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is OBIYSCIGYWQGNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-2-4-13(5-3-12)17-15-9-11-21-16(15)8-10-19(17)18(20)14-6-7-14/h2-5,9,11,14,17H,6-8,10H2,1H3/t17-/m0/s1.
What are the key properties of cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 297.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 7349676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).