4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid

C9H9NO4S — CID 82391389

IUPAC4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)Cc1nc(C2CC2)sc1C(=O)O
InChIInChI=1S/C9H9NO4S/c11-6(12)3-5-7(9(13)14)15-8(10-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyLTONRNDPPXHFDN-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.35
Rot. Bonds4

About 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid

4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82391389) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID82391389
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)Cc1nc(C2CC2)sc1C(=O)O
InChIInChI=1S/C9H9NO4S/c11-6(12)3-5-7(9(13)14)15-8(10-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyLTONRNDPPXHFDN-UHFFFAOYSA-N
XLogP1.35
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 69484910
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
CID 69487025

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 82391389) is 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid is O=C(O)Cc1nc(C2CC2)sc1C(=O)O.
What is the InChIKey of 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LTONRNDPPXHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c11-6(12)3-5-7(9(13)14)15-8(10-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid?
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 227.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82391389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).