(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone

C18H23N3OS — CID 71818431

IUPAC(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyYKFSMOUFOXUQLG-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.46
Rot. Bonds3

About (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone

(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone (PubChem CID 71818431) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
PubChem CID71818431
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyYKFSMOUFOXUQLG-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone (CID 71818431) is (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone is Cc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?
The InChIKey is YKFSMOUFOXUQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?
(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71818431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).