2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride

C12H22ClN5O2S — CID 120904709

IUPAC2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(N)=O)CC1CN(Cc2cnc(N)s2)CCO1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-16(8-11(13)18)5-9-6-17(2-3-19-9)7-10-4-15-12(14)20-10;/h4,9H,2-3,5-8H2,1H3,(H2,13,18)(H2,14,15);1H
InChIKeyOZFGNTQHKRVNCM-UHFFFAOYSA-N
MW335.86 g/mol
LogP-0.23
Rot. Bonds6

About 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride

2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride (PubChem CID 120904709) has the molecular formula C12H22ClN5O2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
PubChem CID120904709
Molecular FormulaC12H22ClN5O2S
Molecular Weight335.86 g/mol
Exact Mass335.12
IUPAC Name2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(N)=O)CC1CN(Cc2cnc(N)s2)CCO1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-16(8-11(13)18)5-9-6-17(2-3-19-9)7-10-4-15-12(14)20-10;/h4,9H,2-3,5-8H2,1H3,(H2,13,18)(H2,14,15);1H
InChIKeyOZFGNTQHKRVNCM-UHFFFAOYSA-N
XLogP-0.23
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride with MolForge

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Related Compounds

2-[methyl-[[(2R)-4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340998
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
2-[methyl-[[4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 128973253
2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601
2-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043660
2-[[(2R)-4-[(5-cyanofuran-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 129477089
2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
CID 124875294
2-[[(2S)-4-[(5-cyanofuran-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 129477090
2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141490
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[methyl-[[(2R)-4-(2-pyridin-3-yloxyacetyl)morpholin-2-yl]methyl]amino]acetamide
CID 129477899
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride?
The IUPAC name of 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride (CID 120904709) is 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride.
What is the SMILES notation for 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride?
The canonical SMILES for 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride is CN(CC(N)=O)CC1CN(Cc2cnc(N)s2)CCO1.Cl.
What is the InChIKey of 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride?
The InChIKey is OZFGNTQHKRVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S.ClH/c1-16(8-11(13)18)5-9-6-17(2-3-19-9)7-10-4-15-12(14)20-10;/h4,9H,2-3,5-8H2,1H3,(H2,13,18)(H2,14,15);1H.
What are the key properties of 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride?
2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride is sourced from PubChem (CID 120904709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).