5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C18H26N4OS — CID 45247633

IUPAC5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1
InChIInChI=1S/C18H26N4OS/c1-21(2)18-19-11-17(24-18)13-22-10-4-5-15(12-22)20-14-6-8-16(23-3)9-7-14/h6-9,11,15,20H,4-5,10,12-13H2,1-3H3
InChIKeyZJNDRQJBERZKEF-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.29
Rot. Bonds6

About 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 45247633) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID45247633
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1
InChIInChI=1S/C18H26N4OS/c1-21(2)18-19-11-17(24-18)13-22-10-4-5-15(12-22)20-14-6-8-16(23-3)9-7-14/h6-9,11,15,20H,4-5,10,12-13H2,1-3H3
InChIKeyZJNDRQJBERZKEF-UHFFFAOYSA-N
XLogP3.29
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 45247633) is 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is COc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1.
What is the InChIKey of 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZJNDRQJBERZKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-21(2)18-19-11-17(24-18)13-22-10-4-5-15(12-22)20-14-6-8-16(23-3)9-7-14/h6-9,11,15,20H,4-5,10,12-13H2,1-3H3.
What are the key properties of 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 346.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-methoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 45247633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).