[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride

C15H20Cl2N4OS — CID 119562862

IUPAC[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1.Cl.Cl
InChIInChI=1S/C15H18N4OS.2ClH/c1-16-11-5-8-19(9-6-11)15(20)13-10-18-14(21-13)12-4-2-3-7-17-12;;/h2-4,7,10-11,16H,5-6,8-9H2,1H3;2*1H
InChIKeyBTPSVLWBHMSSQR-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.87
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (PubChem CID 119562862) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
PubChem CID119562862
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1.Cl.Cl
InChIInChI=1S/C15H18N4OS.2ClH/c1-16-11-5-8-19(9-6-11)15(20)13-10-18-14(21-13)12-4-2-3-7-17-12;;/h2-4,7,10-11,16H,5-6,8-9H2,1H3;2*1H
InChIKeyBTPSVLWBHMSSQR-UHFFFAOYSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119644496
N-piperidin-3-yl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119427844
N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 126786202
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124592696
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55699853
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119621955
(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
CID 133442278
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119458360
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 126813645

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (CID 119562862) is [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is CNC1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The InChIKey is BTPSVLWBHMSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c1-16-11-5-8-19(9-6-11)15(20)13-10-18-14(21-13)12-4-2-3-7-17-12;;/h2-4,7,10-11,16H,5-6,8-9H2,1H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119562862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).