6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine

C22H21N5OS — CID 88563830

IUPAC6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1
InChIInChI=1S/C22H21N5OS/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27/h2-5,10-14H,6-9H2,1H3,(H,25,26)
InChIKeyIJHDRSXBQWYAFA-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.64
Rot. Bonds4

About 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine

6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 88563830) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID88563830
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1
InChIInChI=1S/C22H21N5OS/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27/h2-5,10-14H,6-9H2,1H3,(H,25,26)
InChIKeyIJHDRSXBQWYAFA-UHFFFAOYSA-N
XLogP4.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

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
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 97189278
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 75404111
N-[(5-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724710
4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
CID 91510472
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
N-[6-[6-amino-5-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 59251894
N-(4-butylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 88563814
4-chloro-3-[5-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)amino]-1,2,4-benzotriazin-7-yl]phenol
CID 59837748

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 88563830) is 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine is Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.
What is the InChIKey of 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is IJHDRSXBQWYAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27/h2-5,10-14H,6-9H2,1H3,(H,25,26).
What are the key properties of 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 403.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 88563830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).