2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid

C9H12N2O4S — CID 63281019

IUPAC2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCc1ncsc1CNC(=O)COCC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6-7(16-5-11-6)2-10-8(12)3-15-4-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyRDAOJNFPSHPLKZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 63281019) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID63281019
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCc1ncsc1CNC(=O)COCC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6-7(16-5-11-6)2-10-8(12)3-15-4-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyRDAOJNFPSHPLKZ-UHFFFAOYSA-N
XLogP0.17
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
CID 12933946
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439
3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63279966

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid (CID 63281019) is 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid is Cc1ncsc1CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is RDAOJNFPSHPLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6-7(16-5-11-6)2-10-8(12)3-15-4-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).