(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

C15H21Cl2N3O2S — CID 119375760

IUPAC(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(N)CC3)s2)o1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-3-4-12(20-9)14-17-10(2)13(21-14)15(19)18-7-5-11(16)6-8-18;;/h3-4,11H,5-8,16H2,1-2H3;2*1H
InChIKeyPQKNHLPTFAMCAK-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.43
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 119375760) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID119375760
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(N)CC3)s2)o1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-3-4-12(20-9)14-17-10(2)13(21-14)15(19)18-7-5-11(16)6-8-18;;/h3-4,11H,5-8,16H2,1-2H3;2*1H
InChIKeyPQKNHLPTFAMCAK-UHFFFAOYSA-N
XLogP3.43
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120814689
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 119624366
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 38414533
(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825
[2-(1-aminoethyl)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436791
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 120746669
N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
CID 94796886
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 38497854
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120742338
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 55667282
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949221

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 119375760) is (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(N)CC3)s2)o1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is PQKNHLPTFAMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.2ClH/c1-9-3-4-12(20-9)14-17-10(2)13(21-14)15(19)18-7-5-11(16)6-8-18;;/h3-4,11H,5-8,16H2,1-2H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 119375760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).