4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid

C8H10N2O4S2 — CID 43664522

IUPAC4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCCS2(=O)=O)cs1
InChIInChI=1S/C8H10N2O4S2/c11-8(12)7-9-6(5-15-7)4-10-2-1-3-16(10,13)14/h5H,1-4H2,(H,11,12)
InChIKeySKLSHAATTGGPIK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.38
Rot. Bonds3

About 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664522) has the molecular formula C8H10N2O4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664522
Molecular FormulaC8H10N2O4S2
Molecular Weight262.31 g/mol
Exact Mass262.01
IUPAC Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCCS2(=O)=O)cs1
InChIInChI=1S/C8H10N2O4S2/c11-8(12)7-9-6(5-15-7)4-10-2-1-3-16(10,13)14/h5H,1-4H2,(H,11,12)
InChIKeySKLSHAATTGGPIK-UHFFFAOYSA-N
XLogP0.38
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620082
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
4-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 103535120
4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63312694
4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103261211
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170613
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104511155

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 43664522) is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CN2CCCS2(=O)=O)cs1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is SKLSHAATTGGPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S2/c11-8(12)7-9-6(5-15-7)4-10-2-1-3-16(10,13)14/h5H,1-4H2,(H,11,12).
What are the key properties of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).