methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate

C9H12N2O4S2 — CID 62997961

IUPACmethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C9H12N2O4S2/c1-15-8(12)4-6-5-16-9(10-6)11-17(13,14)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,11)
InChIKeyNQJQHHKIAGROCS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 62997961) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID62997961
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Namemethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C9H12N2O4S2/c1-15-8(12)4-6-5-16-9(10-6)11-17(13,14)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,11)
InChIKeyNQJQHHKIAGROCS-UHFFFAOYSA-N
XLogP0.76
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 62997961) is methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NQJQHHKIAGROCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c1-15-8(12)4-6-5-16-9(10-6)11-17(13,14)7-2-3-7/h5,7H,2-4H2,1H3,(H,10,11).
What are the key properties of methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 62997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).