2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid

C11H17N3O3S — CID 113264836

IUPAC2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCc1ncc(C(=O)N(CCN(C)C)CC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-8-12-6-9(18-8)11(17)14(7-10(15)16)5-4-13(2)3/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyDSNNGRVGMKZLEA-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.54
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid (PubChem CID 113264836) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
PubChem CID113264836
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCc1ncc(C(=O)N(CCN(C)C)CC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-8-12-6-9(18-8)11(17)14(7-10(15)16)5-4-13(2)3/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyDSNNGRVGMKZLEA-UHFFFAOYSA-N
XLogP0.54
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 119204826
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802824
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107423686
2-[(6-aminopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 121495268
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
CID 107423647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid (CID 113264836) is 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid is Cc1ncc(C(=O)N(CCN(C)C)CC(=O)O)s1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The InChIKey is DSNNGRVGMKZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-12-6-9(18-8)11(17)14(7-10(15)16)5-4-13(2)3/h6H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 113264836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).