[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

C18H23N3OS2 — CID 24818991

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1
InChIInChI=1S/C18H23N3OS2/c1-12-6-7-14(9-13(12)2)19-15-5-4-8-21(10-15)17(22)16-11-24-18(20-16)23-3/h6-7,9,11,15,19H,4-5,8,10H2,1-3H3
InChIKeyZGVQASARPIOJHK-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.20
Rot. Bonds4

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (PubChem CID 24818991) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
PubChem CID24818991
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1
InChIInChI=1S/C18H23N3OS2/c1-12-6-7-14(9-13(12)2)19-15-5-4-8-21(10-15)17(22)16-11-24-18(20-16)23-3/h6-7,9,11,15,19H,4-5,8,10H2,1-3H3
InChIKeyZGVQASARPIOJHK-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (CID 24818991) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is CSc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZGVQASARPIOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-12-6-7-14(9-13(12)2)19-15-5-4-8-21(10-15)17(22)16-11-24-18(20-16)23-3/h6-7,9,11,15,19H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone has a molecular weight of 361.54 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24818991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).