2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C19H34Cl2N4O2S — CID 120646616

IUPAC2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1(C)CN(C2(CNC(=O)c3csc(CCN)n3)CCCCC2)CCO1.Cl.Cl
InChIInChI=1S/C19H32N4O2S.2ClH/c1-18(2)14-23(10-11-25-18)19(7-4-3-5-8-19)13-21-17(24)15-12-26-16(22-15)6-9-20;;/h12H,3-11,13-14,20H2,1-2H3,(H,21,24);2*1H
InChIKeyTWIWMRBBBBVNOL-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120646616) has the molecular formula C19H34Cl2N4O2S and a molecular weight of 453.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120646616
Molecular FormulaC19H34Cl2N4O2S
Molecular Weight453.48 g/mol
Exact Mass452.18
IUPAC Name2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1(C)CN(C2(CNC(=O)c3csc(CCN)n3)CCCCC2)CCO1.Cl.Cl
InChIInChI=1S/C19H32N4O2S.2ClH/c1-18(2)14-23(10-11-25-18)19(7-4-3-5-8-19)13-21-17(24)15-12-26-16(22-15)6-9-20;;/h12H,3-11,13-14,20H2,1-2H3,(H,21,24);2*1H
InChIKeyTWIWMRBBBBVNOL-UHFFFAOYSA-N
XLogP3.03
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 120643873
1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119883003
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-ethylbenzamide
CID 138058577
(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
CID 119882992
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120646616) is 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1(C)CN(C2(CNC(=O)c3csc(CCN)n3)CCCCC2)CCO1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is TWIWMRBBBBVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S.2ClH/c1-18(2)14-23(10-11-25-18)19(7-4-3-5-8-19)13-21-17(24)15-12-26-16(22-15)6-9-20;;/h12H,3-11,13-14,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 453.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120646616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).