2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid

C7H8N2O3S2 — CID 5329677

IUPAC2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid
SMILESCC(=O)Nc1ncc(SCC(=O)O)s1
InChIInChI=1S/C7H8N2O3S2/c1-4(10)9-7-8-2-6(14-7)13-3-5(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyVUBHPDXNTUPWHT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.28
Rot. Bonds4

About 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid

2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid (PubChem CID 5329677) has the molecular formula C7H8N2O3S2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid
PubChem CID5329677
Molecular FormulaC7H8N2O3S2
Molecular Weight232.29 g/mol
Exact Mass232.00
IUPAC Name2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid
SMILESCC(=O)Nc1ncc(SCC(=O)O)s1
InChIInChI=1S/C7H8N2O3S2/c1-4(10)9-7-8-2-6(14-7)13-3-5(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyVUBHPDXNTUPWHT-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamidothiazole
CID 17625
Tert-butyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329661
Ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329660
2-Amino-5-thio-substituted thiazole 57
CID 5329696
2-Amino-5-thio-substituted thiazole 68
CID 5329704
2-Amino-5-thio-substituted thiazole 70
CID 5329706
2-Amino-5-thio-substituted thiazole 9
CID 5329680
2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide
CID 5329682
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
Ethyl (2-acetamido-1,3-thiazol-5-yl)sulfanylformate
CID 155563443
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098
2-Acetamido-1,3-thiazole-5-sulfonyl chloride
CID 350261

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid (CID 5329677) is 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid is CC(=O)Nc1ncc(SCC(=O)O)s1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid?
The InChIKey is VUBHPDXNTUPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S2/c1-4(10)9-7-8-2-6(14-7)13-3-5(11)12/h2H,3H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid?
2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid has a molecular weight of 232.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetic acid is sourced from PubChem (CID 5329677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).