2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid

C10H14N2O3S2 — CID 138701111

IUPAC2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESCCC(C(=O)O)c1csc(NS(=O)C2CC2)n1
InChIInChI=1S/C10H14N2O3S2/c1-2-7(9(13)14)8-5-16-10(11-8)12-17(15)6-3-4-6/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAASXQOUMOCICAA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 138701111) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID138701111
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESCCC(C(=O)O)c1csc(NS(=O)C2CC2)n1
InChIInChI=1S/C10H14N2O3S2/c1-2-7(9(13)14)8-5-16-10(11-8)12-17(15)6-3-4-6/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAASXQOUMOCICAA-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methanesulfonamido-1,3-thiazol-4-yl)acetic acid
CID 3159575
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid
CID 138673834
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 11536802
2-(2-Amino-1,3-thiazol-4-yl)propanoic acid
CID 20464555
2-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]propanoic acid
CID 23437679
2-(2-Amino-1,3-thiazol-4-yl)butanoic acid
CID 53411174
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 54087913
2-(2-Formamido-1,3-thiazol-4-yl)butanoic acid
CID 57119960
Methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 62997961
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64552395
Ethyl 2-(2-aminothiazol-4-yl)butanoate
CID 71307709
2-(2-Amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride
CID 87287687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid (CID 138701111) is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid is CCC(C(=O)O)c1csc(NS(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is AASXQOUMOCICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-2-7(9(13)14)8-5-16-10(11-8)12-17(15)6-3-4-6/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid?
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 274.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 138701111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).