5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid

C13H14N2O4S2 — CID 63942564

IUPAC5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid
SMILESCCN(C(C)=O)c1nc(CSc2ccc(C(=O)O)o2)cs1
InChIInChI=1S/C13H14N2O4S2/c1-3-15(8(2)16)13-14-9(7-21-13)6-20-11-5-4-10(19-11)12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyJZRAMWIGSATNJC-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds6

About 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid

5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid (PubChem CID 63942564) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid
PubChem CID63942564
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid
SMILESCCN(C(C)=O)c1nc(CSc2ccc(C(=O)O)o2)cs1
InChIInChI=1S/C13H14N2O4S2/c1-3-15(8(2)16)13-14-9(7-21-13)6-20-11-5-4-10(19-11)12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyJZRAMWIGSATNJC-UHFFFAOYSA-N
XLogP3.10
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-2-aminopropanoic acid
CID 43386119
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
N-ethyl-N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31433500
N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43250262
5-(1,3-thiazol-4-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63942563
N-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31209607
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
N-[4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31679905
N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43742880
N-[4-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 42980942
N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226209
5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]furan-2-carboxylic acid
CID 63943165

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid (CID 63942564) is 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid is CCN(C(C)=O)c1nc(CSc2ccc(C(=O)O)o2)cs1.
What is the InChIKey of 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid?
The InChIKey is JZRAMWIGSATNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-3-15(8(2)16)13-14-9(7-21-13)6-20-11-5-4-10(19-11)12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid?
5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63942564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).