2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C10H14N2O4S2 — CID 138673865

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H14N2O4S2/c1-10(2,8(13)14)7-5-17-9(11-7)12-18(15,16)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRZSMBYXAQKBFPN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 138673865) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID138673865
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H14N2O4S2/c1-10(2,8(13)14)7-5-17-9(11-7)12-18(15,16)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRZSMBYXAQKBFPN-UHFFFAOYSA-N
XLogP1.41
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 138673865) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is RZSMBYXAQKBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-10(2,8(13)14)7-5-17-9(11-7)12-18(15,16)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 290.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 138673865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).