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

C16H23Cl2N5OS — CID 119644496

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1.Cl.Cl
InChIInChI=1S/C16H21N5OS.2ClH/c1-2-17-10-12-4-8-21(9-5-12)16(22)13-11-20-15(23-13)14-18-6-3-7-19-14;;/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3;2*1H
InChIKeySWJAVJGBVVLFNJ-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.91
Rot. Bonds5

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

[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (PubChem CID 119644496) has the molecular formula C16H23Cl2N5OS and a molecular weight of 404.37 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
PubChem CID119644496
Molecular FormulaC16H23Cl2N5OS
Molecular Weight404.37 g/mol
Exact Mass403.10
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1.Cl.Cl
InChIInChI=1S/C16H21N5OS.2ClH/c1-2-17-10-12-4-8-21(9-5-12)16(22)13-11-20-15(23-13)14-18-6-3-7-19-14;;/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3;2*1H
InChIKeySWJAVJGBVVLFNJ-UHFFFAOYSA-N
XLogP2.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119621955
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
4-[5-[(1-benzoylpiperidin-4-yl)methylcarbamoyl]-1,3-thiazol-2-yl]benzoic acid
CID 142738667
(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (CID 119644496) is [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is CCNCC1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1.Cl.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The InChIKey is SWJAVJGBVVLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.2ClH/c1-2-17-10-12-4-8-21(9-5-12)16(22)13-11-20-15(23-13)14-18-6-3-7-19-14;;/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3;2*1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride has a molecular weight of 404.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119644496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).