(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

C20H25N3OS — CID 113203448

IUPAC(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCc2nc(-c3ccncc3)sc2C1
InChIInChI=1S/C20H25N3OS/c1-2-16-5-3-4-12-23(16)20(24)15-6-7-17-18(13-15)25-19(22-17)14-8-10-21-11-9-14/h8-11,15-16H,2-7,12-13H2,1H3
InChIKeyPZUILFIZDFWIAT-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.10
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 113203448) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
PubChem CID113203448
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCc2nc(-c3ccncc3)sc2C1
InChIInChI=1S/C20H25N3OS/c1-2-16-5-3-4-12-23(16)20(24)15-6-7-17-18(13-15)25-19(22-17)14-8-10-21-11-9-14/h8-11,15-16H,2-7,12-13H2,1H3
InChIKeyPZUILFIZDFWIAT-UHFFFAOYSA-N
XLogP4.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone with MolForge

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Related Compounds

2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82132812
piperidin-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203258
azepan-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203315
N-(2-phenylethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203428
N-(oxolan-2-ylmethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203402
N-(cyclobutylmethyl)-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386516
N-(3-chloro-2-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203482
N-(4-cyanophenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203517
[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 119631252
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134924

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (CID 113203448) is (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is CCC1CCCCN1C(=O)C1CCc2nc(-c3ccncc3)sc2C1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The InChIKey is PZUILFIZDFWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-2-16-5-3-4-12-23(16)20(24)15-6-7-17-18(13-15)25-19(22-17)14-8-10-21-11-9-14/h8-11,15-16H,2-7,12-13H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 355.51 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 113203448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).