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

C14H14N2O4S — CID 17373740

IUPAC2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1sc(NC(=O)COCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-9-13(10-5-3-2-4-6-10)16-14(21-9)15-11(17)7-20-8-12(18)19/h2-6H,7-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyACSJSBVYFKVAJQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.16
Rot. Bonds6

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

2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 17373740) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID17373740
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1sc(NC(=O)COCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-9-13(10-5-3-2-4-6-10)16-14(21-9)15-11(17)7-20-8-12(18)19/h2-6H,7-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyACSJSBVYFKVAJQ-UHFFFAOYSA-N
XLogP2.16
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19178430
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid (CID 17373740) is 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid is Cc1sc(NC(=O)COCC(=O)O)nc1-c1ccccc1.
What is the InChIKey of 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is ACSJSBVYFKVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-13(10-5-3-2-4-6-10)16-14(21-9)15-11(17)7-20-8-12(18)19/h2-6H,7-8H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 17373740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).