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

C19H27N3S2 — CID 118190306

IUPACN-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCSc1ncc(CN2CCC(N(C)Cc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H27N3S2/c1-15-4-6-16(7-5-15)13-21(2)17-8-10-22(11-9-17)14-18-12-20-19(23-3)24-18/h4-7,12,17H,8-11,13-14H2,1-3H3
InChIKeyVDDRCEQSPDSRTE-UHFFFAOYSA-N
MW361.58 g/mol
LogP4.27
Rot. Bonds6

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

N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 118190306) has the molecular formula C19H27N3S2 and a molecular weight of 361.58 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID118190306
Molecular FormulaC19H27N3S2
Molecular Weight361.58 g/mol
Exact Mass361.16
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCSc1ncc(CN2CCC(N(C)Cc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H27N3S2/c1-15-4-6-16(7-5-15)13-21(2)17-8-10-22(11-9-17)14-18-12-20-19(23-3)24-18/h4-7,12,17H,8-11,13-14H2,1-3H3
InChIKeyVDDRCEQSPDSRTE-UHFFFAOYSA-N
XLogP4.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (CID 118190306) is N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is CSc1ncc(CN2CCC(N(C)Cc3ccc(C)cc3)CC2)s1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is VDDRCEQSPDSRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S2/c1-15-4-6-16(7-5-15)13-21(2)17-8-10-22(11-9-17)14-18-12-20-19(23-3)24-18/h4-7,12,17H,8-11,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 361.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).