2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

C9H11NO2S — CID 82398842

IUPAC2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(C(=O)O)C2CC2)sn1
InChIInChI=1S/C9H11NO2S/c1-5-4-7(13-10-5)8(9(11)12)6-2-3-6/h4,6,8H,2-3H2,1H3,(H,11,12)
InChIKeyPADIZGVTYSMVPE-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.03
Rot. Bonds3

About 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 82398842) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID82398842
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(C(=O)O)C2CC2)sn1
InChIInChI=1S/C9H11NO2S/c1-5-4-7(13-10-5)8(9(11)12)6-2-3-6/h4,6,8H,2-3H2,1H3,(H,11,12)
InChIKeyPADIZGVTYSMVPE-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-thiazol-5-yl)acetic acid
CID 82372986
2,2-Difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 130882635
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid
CID 126985703
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid;2-methylpropane;2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 162032109
2-Iodopropane;3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid;2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 163575361
2-(3-Tert-butyl-1,2-thiazol-5-yl)acetic acid
CID 82372987
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
2-(3-Propan-2-yl-1,2-thiazol-5-yl)acetic acid
CID 82372989
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Cyclopropyl-1,2-thiazol-5-yl)acetic acid
CID 82372992
2-(3-Propan-2-yl-1,2-thiazol-5-yl)propanoic acid
CID 82397722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (CID 82398842) is 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cc(C(C(=O)O)C2CC2)sn1.
What is the InChIKey of 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is PADIZGVTYSMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-4-7(13-10-5)8(9(11)12)6-2-3-6/h4,6,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 197.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82398842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).