methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate

C5H6N2O3S2 — CID 142522893

IUPACmethyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(S(N)=O)s1
InChIInChI=1S/C5H6N2O3S2/c1-10-4(8)3-2-7-5(11-3)12(6)9/h2H,6H2,1H3
InChIKeyFTSFTDQQQGCGHB-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.09
Rot. Bonds2

About methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate

methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate (PubChem CID 142522893) has the molecular formula C5H6N2O3S2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate
PubChem CID142522893
Molecular FormulaC5H6N2O3S2
Molecular Weight206.25 g/mol
Exact Mass205.98
IUPAC Namemethyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(S(N)=O)s1
InChIInChI=1S/C5H6N2O3S2/c1-10-4(8)3-2-7-5(11-3)12(6)9/h2H,6H2,1H3
InChIKeyFTSFTDQQQGCGHB-UHFFFAOYSA-N
XLogP-0.09
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate (CID 142522893) is methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(S(N)=O)s1.
What is the InChIKey of methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate?
The InChIKey is FTSFTDQQQGCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S2/c1-10-4(8)3-2-7-5(11-3)12(6)9/h2H,6H2,1H3.
What are the key properties of methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate?
methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate has a molecular weight of 206.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142522893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).