(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

C24H23N5OS — CID 110252485

IUPAC(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2)cc(C2CCCN(C(=O)c3ccc4nc(C)sc4c3)C2)n1
InChIInChI=1S/C24H23N5OS/c1-15-8-19(20-11-25-14-26-12-20)9-22(27-15)18-4-3-7-29(13-18)24(30)17-5-6-21-23(10-17)31-16(2)28-21/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3
InChIKeyPGSIYTOKKRGZNY-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.78
Rot. Bonds3

About (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone

(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 110252485) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID110252485
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2)cc(C2CCCN(C(=O)c3ccc4nc(C)sc4c3)C2)n1
InChIInChI=1S/C24H23N5OS/c1-15-8-19(20-11-25-14-26-12-20)9-22(27-15)18-4-3-7-29(13-18)24(30)17-5-6-21-23(10-17)31-16(2)28-21/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3
InChIKeyPGSIYTOKKRGZNY-UHFFFAOYSA-N
XLogP4.78
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
2-(2-amino-1,3-benzothiazol-6-yl)-1-[(3S)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834637
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
4-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72841928
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2-methyl-1,3-benzothiazol-6-yl)-[(3S)-3-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95813661
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone (CID 110252485) is (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is Cc1cc(-c2cncnc2)cc(C2CCCN(C(=O)c3ccc4nc(C)sc4c3)C2)n1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is PGSIYTOKKRGZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-8-19(20-11-25-14-26-12-20)9-22(27-15)18-4-3-7-29(13-18)24(30)17-5-6-21-23(10-17)31-16(2)28-21/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3.
What are the key properties of (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone?
(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 429.55 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110252485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).