(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride

C17H21Cl2N3OS — CID 120816488

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2csc(-c3ccccc3Cl)n2)CCC1N.Cl
InChIInChI=1S/C17H20ClN3OS.ClH/c1-17(2)10-21(8-7-14(17)19)16(22)13-9-23-15(20-13)11-5-3-4-6-12(11)18;/h3-6,9,14H,7-8,10,19H2,1-2H3;1H
InChIKeyWQPQYHFFQOLCGJ-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.08
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride (PubChem CID 120816488) has the molecular formula C17H21Cl2N3OS and a molecular weight of 386.35 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
PubChem CID120816488
Molecular FormulaC17H21Cl2N3OS
Molecular Weight386.35 g/mol
Exact Mass385.08
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2csc(-c3ccccc3Cl)n2)CCC1N.Cl
InChIInChI=1S/C17H20ClN3OS.ClH/c1-17(2)10-21(8-7-14(17)19)16(22)13-9-23-15(20-13)11-5-3-4-6-12(11)18;/h3-6,9,14H,7-8,10,19H2,1-2H3;1H
InChIKeyWQPQYHFFQOLCGJ-UHFFFAOYSA-N
XLogP4.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120816321
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 120819745
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)triazol-4-yl]methanone;hydrochloride
CID 120816567
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
CID 120816527

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride (CID 120816488) is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride is CC1(C)CN(C(=O)c2csc(-c3ccccc3Cl)n2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The InChIKey is WQPQYHFFQOLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS.ClH/c1-17(2)10-21(8-7-14(17)19)16(22)13-9-23-15(20-13)11-5-3-4-6-12(11)18;/h3-6,9,14H,7-8,10,19H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride has a molecular weight of 386.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120816488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).