2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

C9H12N2O4S2 — CID 64988064

IUPAC2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)CC2CC2)n1
InChIInChI=1S/C9H12N2O4S2/c12-8(13)3-7-4-16-9(10-7)11-17(14,15)5-6-1-2-6/h4,6H,1-3,5H2,(H,10,11)(H,12,13)
InChIKeyBDQPMVXKABVIJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 64988064) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID64988064
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)CC2CC2)n1
InChIInChI=1S/C9H12N2O4S2/c12-8(13)3-7-4-16-9(10-7)11-17(14,15)5-6-1-2-6/h4,6H,1-3,5H2,(H,10,11)(H,12,13)
InChIKeyBDQPMVXKABVIJL-UHFFFAOYSA-N
XLogP0.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 43361116
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 62063668
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 87949636
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 77046918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (CID 64988064) is 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)CC2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BDQPMVXKABVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c12-8(13)3-7-4-16-9(10-7)11-17(14,15)5-6-1-2-6/h4,6H,1-3,5H2,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 64988064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).