4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride

C17H24Cl2N4O2S — CID 120941520

IUPAC4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCCc2nc(-c3ccccn3)cs2)CCOCC1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-12-17(5-9-23-10-6-17)16(22)20-8-4-15-21-14(11-24-15)13-3-1-2-7-19-13;;/h1-3,7,11H,4-6,8-10,12,18H2,(H,20,22);2*1H
InChIKeyGCCVGARMOJBEJJ-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.46
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120941520) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120941520
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC Name4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCCc2nc(-c3ccccn3)cs2)CCOCC1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-12-17(5-9-23-10-6-17)16(22)20-8-4-15-21-14(11-24-15)13-3-1-2-7-19-13;;/h1-3,7,11H,4-6,8-10,12,18H2,(H,20,22);2*1H
InChIKeyGCCVGARMOJBEJJ-UHFFFAOYSA-N
XLogP2.46
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115439687
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride (CID 120941520) is 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NCCc2nc(-c3ccccn3)cs2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is GCCVGARMOJBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c18-12-17(5-9-23-10-6-17)16(22)20-8-4-15-21-14(11-24-15)13-3-1-2-7-19-13;;/h1-3,7,11H,4-6,8-10,12,18H2,(H,20,22);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).