(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione

C21H24N2O2S2 — CID 87184819

IUPAC(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
SMILESCOc1ccc(C(=S)c2cc3cc(C)n(CCN4CCOCC4)c3s2)cc1
InChIInChI=1S/C21H24N2O2S2/c1-15-13-17-14-19(20(26)16-3-5-18(24-2)6-4-16)27-21(17)23(15)8-7-22-9-11-25-12-10-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyQMANGKPFEDOKJR-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.12
Rot. Bonds6

About (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione

(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione (PubChem CID 87184819) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
PubChem CID87184819
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC Name(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
SMILESCOc1ccc(C(=S)c2cc3cc(C)n(CCN4CCOCC4)c3s2)cc1
InChIInChI=1S/C21H24N2O2S2/c1-15-13-17-14-19(20(26)16-3-5-18(24-2)6-4-16)27-21(17)23(15)8-7-22-9-11-25-12-10-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyQMANGKPFEDOKJR-UHFFFAOYSA-N
XLogP4.12
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66898285
(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(1,4-oxazepan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899020
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-pyridin-4-ylmethanone
CID 66900005
4-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrole-2-carbonyl]benzonitrile
CID 50898725
(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66886840
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
CID 50898805
2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899586
deuteride;4-methylbenzonitrile;[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(4-methylphenyl)methanimine;4-[2-(5-methylthieno[2,3-b]pyrrol-6-yl)ethyl]morpholine;tritide
CID 157294057
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
(2-fluoro-4-methoxyphenyl)-[5-methyl-6-(oxan-4-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66869714
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione?
The IUPAC name of (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione (CID 87184819) is (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione.
What is the SMILES notation for (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione?
The canonical SMILES for (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione is COc1ccc(C(=S)c2cc3cc(C)n(CCN4CCOCC4)c3s2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione?
The InChIKey is QMANGKPFEDOKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-15-13-17-14-19(20(26)16-3-5-18(24-2)6-4-16)27-21(17)23(15)8-7-22-9-11-25-12-10-22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione?
(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione has a molecular weight of 400.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione is sourced from PubChem (CID 87184819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).