3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride

C14H26Cl2N4O2S — CID 119840487

IUPAC3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-9(15)4-13(19)17-14-16-12(8-21-14)7-18-5-10(2)20-11(3)6-18;;/h8-11H,4-7,15H2,1-3H3,(H,16,17,19);2*1H
InChIKeyZTUPPEMMNPFTME-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride

3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride (PubChem CID 119840487) has the molecular formula C14H26Cl2N4O2S and a molecular weight of 385.36 g/mol. Its IUPAC name is 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
PubChem CID119840487
Molecular FormulaC14H26Cl2N4O2S
Molecular Weight385.36 g/mol
Exact Mass384.12
IUPAC Name3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-9(15)4-13(19)17-14-16-12(8-21-14)7-18-5-10(2)20-11(3)6-18;;/h8-11H,4-7,15H2,1-3H3,(H,16,17,19);2*1H
InChIKeyZTUPPEMMNPFTME-UHFFFAOYSA-N
XLogP2.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide;dihydrochloride
CID 119840433
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
(2S)-2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119840500
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
ethyl N-[1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55651859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride (CID 119840487) is 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The InChIKey is ZTUPPEMMNPFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.2ClH/c1-9(15)4-13(19)17-14-16-12(8-21-14)7-18-5-10(2)20-11(3)6-18;;/h8-11H,4-7,15H2,1-3H3,(H,16,17,19);2*1H.
What are the key properties of 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride has a molecular weight of 385.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).