4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

C8H10NO3S- — CID 7129296

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCc1csc(=O)n1CCCC(=O)[O-]
InChIInChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)/p-1
InChIKeyDYRYBHFPOZKIQX-UHFFFAOYSA-M
MW200.24 g/mol
LogP-0.25
Rot. Bonds4

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (PubChem CID 7129296) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
PubChem CID7129296
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCc1csc(=O)n1CCCC(=O)[O-]
InChIInChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)/p-1
InChIKeyDYRYBHFPOZKIQX-UHFFFAOYSA-M
XLogP-0.25
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (CID 7129296) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is Cc1csc(=O)n1CCCC(=O)[O-].
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The InChIKey is DYRYBHFPOZKIQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)/p-1.
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate has a molecular weight of 200.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is sourced from PubChem (CID 7129296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).