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

C14H26Cl2N4O2S — CID 119840495

IUPAC4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
SMILESCC1CN(Cc2csc(NC(=O)CCCN)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-10-6-18(7-11(2)20-10)8-12-9-21-14(16-12)17-13(19)4-3-5-15;;/h9-11H,3-8,15H2,1-2H3,(H,16,17,19);2*1H
InChIKeyZSJOZLVFVQGNOH-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.27
Rot. Bonds6

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

4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride (PubChem CID 119840495) has the molecular formula C14H26Cl2N4O2S and a molecular weight of 385.36 g/mol. Its IUPAC name is 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
PubChem CID119840495
Molecular FormulaC14H26Cl2N4O2S
Molecular Weight385.36 g/mol
Exact Mass384.12
IUPAC Name4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
SMILESCC1CN(Cc2csc(NC(=O)CCCN)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H24N4O2S.2ClH/c1-10-6-18(7-11(2)20-10)8-12-9-21-14(16-12)17-13(19)4-3-5-15;;/h9-11H,3-8,15H2,1-2H3,(H,16,17,19);2*1H
InChIKeyZSJOZLVFVQGNOH-UHFFFAOYSA-N
XLogP2.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55519150
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide;dihydrochloride
CID 119840433
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 94819885
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
7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
CID 119831153
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
CID 124731109
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride (CID 119840495) is 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride is CC1CN(Cc2csc(NC(=O)CCCN)n2)CC(C)O1.Cl.Cl.
What is the InChIKey of 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
The InChIKey is ZSJOZLVFVQGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.2ClH/c1-10-6-18(7-11(2)20-10)8-12-9-21-14(16-12)17-13(19)4-3-5-15;;/h9-11H,3-8,15H2,1-2H3,(H,16,17,19);2*1H.
What are the key properties of 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride?
4-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, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119840495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).