5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide

C20H23N3O2S2 — CID 46518495

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CN(CCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC(C)O1
InChIInChI=1S/C20H23N3O2S2/c1-13-11-23(12-14(2)25-13)10-9-21-19(24)17-7-8-18(26-17)20-22-15-5-3-4-6-16(15)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyMAGZRUMZHRUUDD-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.86
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 46518495) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID46518495
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CN(CCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC(C)O1
InChIInChI=1S/C20H23N3O2S2/c1-13-11-23(12-14(2)25-13)10-9-21-19(24)17-7-8-18(26-17)20-22-15-5-3-4-6-16(15)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyMAGZRUMZHRUUDD-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide (CID 46518495) is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide is CC1CN(CCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC(C)O1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is MAGZRUMZHRUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-13-11-23(12-14(2)25-13)10-9-21-19(24)17-7-8-18(26-17)20-22-15-5-3-4-6-16(15)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46518495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).