6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

C21H23N5O2S — CID 24609066

IUPAC6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H23N5O2S/c27-20(15-3-6-19(22-14-15)25-9-11-28-12-10-25)23-16-4-5-17-18(13-16)29-21(24-17)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12H2,(H,23,27)
InChIKeyWHDSIMOCHNVFDK-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.38
Rot. Bonds4

About 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (PubChem CID 24609066) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
PubChem CID24609066
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H23N5O2S/c27-20(15-3-6-19(22-14-15)25-9-11-28-12-10-25)23-16-4-5-17-18(13-16)29-21(24-17)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12H2,(H,23,27)
InChIKeyWHDSIMOCHNVFDK-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624581
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134036027
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide (CID 24609066) is 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
The InChIKey is WHDSIMOCHNVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c27-20(15-3-6-19(22-14-15)25-9-11-28-12-10-25)23-16-4-5-17-18(13-16)29-21(24-17)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12H2,(H,23,27).
What are the key properties of 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide?
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24609066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).