1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride

C20H27Cl2N5S — CID 154890940

IUPAC1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride
SMILESCc1ccc(C2(CN(C)Cc3ccc4nsnc4c3)CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C20H25N5S.2ClH/c1-15-3-6-19(22-12-15)20(7-9-21-10-8-20)14-25(2)13-16-4-5-17-18(11-16)24-26-23-17;;/h3-6,11-12,21H,7-10,13-14H2,1-2H3;2*1H
InChIKeyYIPWZAVOQIGVDU-UHFFFAOYSA-N
MW440.44 g/mol
LogP3.99
Rot. Bonds5

About 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride

1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride (PubChem CID 154890940) has the molecular formula C20H27Cl2N5S and a molecular weight of 440.44 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride
PubChem CID154890940
Molecular FormulaC20H27Cl2N5S
Molecular Weight440.44 g/mol
Exact Mass439.14
IUPAC Name1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride
SMILESCc1ccc(C2(CN(C)Cc3ccc4nsnc4c3)CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C20H25N5S.2ClH/c1-15-3-6-19(22-12-15)20(7-9-21-10-8-20)14-25(2)13-16-4-5-17-18(11-16)24-26-23-17;;/h3-6,11-12,21H,7-10,13-14H2,1-2H3;2*1H
InChIKeyYIPWZAVOQIGVDU-UHFFFAOYSA-N
XLogP3.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;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

N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride
CID 154889541
N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-quinolin-2-ylmethanamine
CID 50980716
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine
CID 95129547
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56897862
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride
CID 171152310
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 131913059
5-chloro-2-(4-ethylpiperidin-4-yl)pyridine
CID 138614315
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride?
The IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride (CID 154890940) is 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride is Cc1ccc(C2(CN(C)Cc3ccc4nsnc4c3)CCNCC2)nc1.Cl.Cl.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride?
The InChIKey is YIPWZAVOQIGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S.2ClH/c1-15-3-6-19(22-12-15)20(7-9-21-10-8-20)14-25(2)13-16-4-5-17-18(11-16)24-26-23-17;;/h3-6,11-12,21H,7-10,13-14H2,1-2H3;2*1H.
What are the key properties of 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride?
1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride has a molecular weight of 440.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]methanamine;dihydrochloride is sourced from PubChem (CID 154890940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).