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

C18H24ClN3S — CID 118190302

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C18H24ClN3S/c1-14-3-5-15(6-4-14)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
InChIKeyIBXAOTRTYTUCEV-UHFFFAOYSA-N
MW349.93 g/mol
LogP4.20
Rot. Bonds5

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 118190302) 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-[(4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
PubChem CID118190302
Molecular FormulaC18H24ClN3S
Molecular Weight349.93 g/mol
Exact Mass349.14
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C18H24ClN3S/c1-14-3-5-15(6-4-14)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
InChIKeyIBXAOTRTYTUCEV-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

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

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Related Compounds

1-((2-Chloro-5-thiazolyl)methyl)-4-phenylpiperazine
CID 1489112
2-[4-[(2-Methyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16189930
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
N-[(3-chlorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190164
1-Benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1479744
2-{1-(4-Methylbenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16187369
2-{1-Benzyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16188931
N-[(3-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 118190159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine (CID 118190302) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine is Cc1ccc(CN(C)C2CCN(Cc3cnc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is IBXAOTRTYTUCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3S/c1-14-3-5-15(6-4-14)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-[(4-methylphenyl)methyl]piperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-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-[(4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).