2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid

C12H19N3O4S — CID 79271923

IUPAC2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-20-9)6-14(2)12(18)15(4-5-19-3)7-11(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyVEGPCGRYHOWEIQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.04
Rot. Bonds7

About 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 79271923) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID79271923
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C12H19N3O4S/c1-9-13-10(8-20-9)6-14(2)12(18)15(4-5-19-3)7-11(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyVEGPCGRYHOWEIQ-UHFFFAOYSA-N
XLogP1.04
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
CID 79272290
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
3-(5-methoxypentyl)-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424610
2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276363
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516208

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid (CID 79271923) is 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is VEGPCGRYHOWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-13-10(8-20-9)6-14(2)12(18)15(4-5-19-3)7-11(16)17/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 79271923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).