ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate

C10H11N3O2S3 — CID 43249927

IUPACethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C10H11N3O2S3/c1-2-15-9(14)8-13-6(5-17-8)4-16-7-3-12-10(11)18-7/h3,5H,2,4H2,1H3,(H2,11,12)
InChIKeyQFYFWINDEMXRRG-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.65
Rot. Bonds5

About ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate

ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate (PubChem CID 43249927) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate
PubChem CID43249927
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC Nameethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C10H11N3O2S3/c1-2-15-9(14)8-13-6(5-17-8)4-16-7-3-12-10(11)18-7/h3,5H,2,4H2,1H3,(H2,11,12)
InChIKeyQFYFWINDEMXRRG-UHFFFAOYSA-N
XLogP2.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249930
5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43249989
ethyl 4-propyl-1,3-thiazole-2-carboxylate
CID 62042144
ethyl 4-(3-aminobutylsulfanylmethyl)-1,3-thiazole-2-carboxylate
CID 66235057
2-amino-4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 54933718
ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
CID 121302206
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
CID 152688417
ethyl 4-[[2-aminoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylate
CID 62686652
ethyl 4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 113238948
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249992
ethyl 4-formyl-1,3-thiazole-2-carboxylate;ethyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
CID 159426048

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate (CID 43249927) is ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(CSc2cnc(N)s2)cs1.
What is the InChIKey of ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate?
The InChIKey is QFYFWINDEMXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-2-15-9(14)8-13-6(5-17-8)4-16-7-3-12-10(11)18-7/h3,5H,2,4H2,1H3,(H2,11,12).
What are the key properties of ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate has a molecular weight of 301.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 43249927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).