(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol

C14H18N2OS — CID 118462285

IUPAC(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol
SMILESCCN1CCc2c(sc(-n3cccc3)c2CO)C1
InChIInChI=1S/C14H18N2OS/c1-2-15-8-5-11-12(10-17)14(18-13(11)9-15)16-6-3-4-7-16/h3-4,6-7,17H,2,5,8-10H2,1H3
InChIKeyLHHAOIFWHUYWCZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.41
Rot. Bonds3

About (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol

(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol (PubChem CID 118462285) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol
PubChem CID118462285
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol
SMILESCCN1CCc2c(sc(-n3cccc3)c2CO)C1
InChIInChI=1S/C14H18N2OS/c1-2-15-8-5-11-12(10-17)14(18-13(11)9-15)16-6-3-4-7-16/h3-4,6-7,17H,2,5,8-10H2,1H3
InChIKeyLHHAOIFWHUYWCZ-UHFFFAOYSA-N
XLogP2.41
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol with MolForge

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Related Compounds

ethyl 6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 118462286
tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate
CID 118462132
methyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate
CID 20907828
carbon dioxide;1-(3-ethyl-4,5-dimethylthiophen-2-yl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea
CID 158599538
ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-1-benzothiophene-3-carboxylate
CID 118462338
ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 118462177
1-(3,5-dimethylphenyl)-3-[(1R)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propyl]urea
CID 92689188
1-[1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)ethyl]-3-(4-fluorophenyl)urea
CID 20885637
1-(1-adamantyl)-3-[1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propyl]urea
CID 46275388
1-(2,3-dimethylphenyl)-3-[(1S)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propyl]urea
CID 92689185
1-cyclopentyl-3-[(1R)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-4-methylpentyl]urea
CID 92689178
ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126577170

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol?
The IUPAC name of (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol (CID 118462285) is (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol.
What is the SMILES notation for (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol?
The canonical SMILES for (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol is CCN1CCc2c(sc(-n3cccc3)c2CO)C1.
What is the InChIKey of (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol?
The InChIKey is LHHAOIFWHUYWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-15-8-5-11-12(10-17)14(18-13(11)9-15)16-6-3-4-7-16/h3-4,6-7,17H,2,5,8-10H2,1H3.
What are the key properties of (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol?
(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol has a molecular weight of 262.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol is sourced from PubChem (CID 118462285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).