3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

C26H29N5O3S2 — CID 155567052

IUPAC3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCOCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(OC)nc4)ccc3s1)CCNC2
InChIInChI=1S/C26H29N5O3S2/c1-33-12-11-27-10-8-22(32)31-26-24(18-7-9-28-15-21(18)36-26)25-30-19-13-16(3-5-20(19)35-25)17-4-6-23(34-2)29-14-17/h3-6,13-14,27-28H,7-12,15H2,1-2H3,(H,31,32)
InChIKeyQRRIXNNXSKJVFJ-UHFFFAOYSA-N
MW523.68 g/mol
LogP4.31
Rot. Bonds10

About 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 155567052) has the molecular formula C26H29N5O3S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID155567052
Molecular FormulaC26H29N5O3S2
Molecular Weight523.68 g/mol
Exact Mass523.17
IUPAC Name3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESCOCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(OC)nc4)ccc3s1)CCNC2
InChIInChI=1S/C26H29N5O3S2/c1-33-12-11-27-10-8-22(32)31-26-24(18-7-9-28-15-21(18)36-26)25-30-19-13-16(3-5-20(19)35-25)17-4-6-23(34-2)29-14-17/h3-6,13-14,27-28H,7-12,15H2,1-2H3,(H,31,32)
InChIKeyQRRIXNNXSKJVFJ-UHFFFAOYSA-N
XLogP4.31
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (CID 155567052) is 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is COCCNCCC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccc(OC)nc4)ccc3s1)CCNC2.
What is the InChIKey of 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is QRRIXNNXSKJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S2/c1-33-12-11-27-10-8-22(32)31-26-24(18-7-9-28-15-21(18)36-26)25-30-19-13-16(3-5-20(19)35-25)17-4-6-23(34-2)29-14-17/h3-6,13-14,27-28H,7-12,15H2,1-2H3,(H,31,32).
What are the key properties of 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 523.68 g/mol, XLogP of 4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-N-[3-[5-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 155567052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).