6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide

C22H20N6O2S — CID 138727188

IUPAC6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3ccc4sc(N5CCOCC5)nc4c3)n2)cn1
InChIInChI=1S/C22H20N6O2S/c23-20-7-4-14(13-24-20)16-2-1-3-17(26-16)21(29)25-15-5-6-19-18(12-15)27-22(31-19)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29)
InChIKeyMBNIKVBBRJKIFL-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.42
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide

6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide (PubChem CID 138727188) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide
PubChem CID138727188
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3ccc4sc(N5CCOCC5)nc4c3)n2)cn1
InChIInChI=1S/C22H20N6O2S/c23-20-7-4-14(13-24-20)16-2-1-3-17(26-16)21(29)25-15-5-6-19-18(12-15)27-22(31-19)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29)
InChIKeyMBNIKVBBRJKIFL-UHFFFAOYSA-N
XLogP3.42
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-methyl-3-pyridinyl)-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 167636477
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 145231708
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide (CID 138727188) is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide is Nc1ccc(-c2cccc(C(=O)Nc3ccc4sc(N5CCOCC5)nc4c3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is MBNIKVBBRJKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c23-20-7-4-14(13-24-20)16-2-1-3-17(26-16)21(29)25-15-5-6-19-18(12-15)27-22(31-19)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide?
6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138727188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).