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

C18H24ClN3S — CID 118190177

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN(C)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C18H24ClN3S/c1-14-5-3-4-6-15(14)12-21(2)16-7-9-22(10-8-16)13-17-11-20-18(19)23-17/h3-6,11,16H,7-10,12-13H2,1-2H3
InChIKeyVEWTVDCGSZXJFE-UHFFFAOYSA-N
MW349.93 g/mol
LogP4.20
Rot. Bonds5

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 118190177) has the molecular formula C18H24ClN3S and a molecular weight of 349.93 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
PubChem CID118190177
Molecular FormulaC18H24ClN3S
Molecular Weight349.93 g/mol
Exact Mass349.14
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN(C)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C18H24ClN3S/c1-14-5-3-4-6-15(14)12-21(2)16-7-9-22(10-8-16)13-17-11-20-18(19)23-17/h3-6,11,16H,7-10,12-13H2,1-2H3
InChIKeyVEWTVDCGSZXJFE-UHFFFAOYSA-N
XLogP4.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine (CID 118190177) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine is Cc1ccccc1CN(C)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is VEWTVDCGSZXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3S/c1-14-5-3-4-6-15(14)12-21(2)16-7-9-22(10-8-16)13-17-11-20-18(19)23-17/h3-6,11,16H,7-10,12-13H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 349.93 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).