(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone

C20H21N3O2S2 — CID 16644543

IUPAC(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3
InChIInChI=1S/C20H21N3O2S2/c21-16-15-12-4-1-2-5-13(12)17(14-6-3-11-26-14)22-19(15)27-18(16)20(24)23-7-9-25-10-8-23/h3,6,11H,1-2,4-5,7-10,21H2
InChIKeyKAFQXVQXVYRNKT-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.96
Rot. Bonds2

About (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone

(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 16644543) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID16644543
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3
InChIInChI=1S/C20H21N3O2S2/c21-16-15-12-4-1-2-5-13(12)17(14-6-3-11-26-14)22-19(15)27-18(16)20(24)23-7-9-25-10-8-23/h3,6,11H,1-2,4-5,7-10,21H2
InChIKeyKAFQXVQXVYRNKT-UHFFFAOYSA-N
XLogP3.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-amino-N-(4-methoxyphenyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 23475195
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
CID 100752350
6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylic acid
CID 178081756
1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2984911
(5-aminothieno[2,3-c]pyridazin-6-yl)-morpholin-4-ylmethanone
CID 80518433
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 661594
(3-amino-12,12-dimethyl-8-pyrrolidin-1-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-morpholin-4-ylmethanone
CID 4905090
1-amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 930416
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone (CID 16644543) is (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3.
What is the InChIKey of (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is KAFQXVQXVYRNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c21-16-15-12-4-1-2-5-13(12)17(14-6-3-11-26-14)22-19(15)27-18(16)20(24)23-7-9-25-10-8-23/h3,6,11H,1-2,4-5,7-10,21H2.
What are the key properties of (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone?
(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 399.54 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 16644543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).