2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid

C9H10N2O4S2 — CID 104570013

IUPAC2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCC(=O)c1csc(NC(=O)CSCC(=O)O)n1
InChIInChI=1S/C9H10N2O4S2/c1-5(12)6-2-17-9(10-6)11-7(13)3-16-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyYRXIZYUEDXGKIM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.10
Rot. Bonds6

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

2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104570013) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104570013
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCC(=O)c1csc(NC(=O)CSCC(=O)O)n1
InChIInChI=1S/C9H10N2O4S2/c1-5(12)6-2-17-9(10-6)11-7(13)3-16-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyYRXIZYUEDXGKIM-UHFFFAOYSA-N
XLogP1.10
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 64896566
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64558465
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998010
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104570013) is 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid is CC(=O)c1csc(NC(=O)CSCC(=O)O)n1.
What is the InChIKey of 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is YRXIZYUEDXGKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c1-5(12)6-2-17-9(10-6)11-7(13)3-16-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H,10,11,13).
What are the key properties of 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104570013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).