N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine

C17H22ClN3S — CID 9110894

IUPACN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H22ClN3S/c1-20-9-7-16(8-10-20)21(2)11-15-12-22-17(19-15)13-3-5-14(18)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyHKRURUAVJJOPTF-UHFFFAOYSA-N
MW335.90 g/mol
LogP3.99
Rot. Bonds4

About N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 9110894) has the molecular formula C17H22ClN3S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID9110894
Molecular FormulaC17H22ClN3S
Molecular Weight335.90 g/mol
Exact Mass335.12
IUPAC NameN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H22ClN3S/c1-20-9-7-16(8-10-20)21(2)11-15-12-22-17(19-15)13-3-5-14(18)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyHKRURUAVJJOPTF-UHFFFAOYSA-N
XLogP3.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 9110894) is N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is HKRURUAVJJOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3S/c1-20-9-7-16(8-10-20)21(2)11-15-12-22-17(19-15)13-3-5-14(18)6-4-13/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 335.90 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 9110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).