(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride

C15H17Cl2N3OS — CID 119377484

IUPAC(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C15H16ClN3OS.ClH/c16-12-6-2-1-5-11(12)14-18-8-13(21-14)15(20)19-7-3-4-10(17)9-19;/h1-2,5-6,8,10H,3-4,7,9,17H2;1H
InChIKeyMEZGVDVRUZZIED-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.45
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride (PubChem CID 119377484) has the molecular formula C15H17Cl2N3OS and a molecular weight of 358.29 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
PubChem CID119377484
Molecular FormulaC15H17Cl2N3OS
Molecular Weight358.29 g/mol
Exact Mass357.05
IUPAC Name(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C15H16ClN3OS.ClH/c16-12-6-2-1-5-11(12)14-18-8-13(21-14)15(20)19-7-3-4-10(17)9-19;/h1-2,5-6,8,10H,3-4,7,9,17H2;1H
InChIKeyMEZGVDVRUZZIED-UHFFFAOYSA-N
XLogP3.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
CID 124593259
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
3-[(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanoic acid
CID 124700912
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 100656442
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124569722
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122159680

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride (CID 119377484) is (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride?
The InChIKey is MEZGVDVRUZZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS.ClH/c16-12-6-2-1-5-11(12)14-18-8-13(21-14)15(20)19-7-3-4-10(17)9-19;/h1-2,5-6,8,10H,3-4,7,9,17H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride has a molecular weight of 358.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119377484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).