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

C9H12N2O3S — CID 43356197

IUPAC2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nc(CC(=O)N(C)CC(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-6-10-7(5-15-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyRBVCFQGLKHUXHQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.54
Rot. Bonds4

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

2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (PubChem CID 43356197) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
PubChem CID43356197
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nc(CC(=O)N(C)CC(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-6-10-7(5-15-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyRBVCFQGLKHUXHQ-UHFFFAOYSA-N
XLogP0.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 55008249
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264506
2-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119346160
2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
CID 60825782
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (CID 43356197) is 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is Cc1nc(CC(=O)N(C)CC(=O)O)cs1.
What is the InChIKey of 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is RBVCFQGLKHUXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-10-7(5-15-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43356197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).