2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid

C8H9NO3S2 — CID 164907573

IUPAC2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCS(=O)C1(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C8H9NO3S2/c1-14(12)8(2-3-8)7-9-4-5(13-7)6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyNZUYTIHSLVFUCI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.21
Rot. Bonds3

About 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid

2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 164907573) has the molecular formula C8H9NO3S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID164907573
Molecular FormulaC8H9NO3S2
Molecular Weight231.30 g/mol
Exact Mass231.00
IUPAC Name2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCS(=O)C1(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C8H9NO3S2/c1-14(12)8(2-3-8)7-9-4-5(13-7)6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyNZUYTIHSLVFUCI-UHFFFAOYSA-N
XLogP1.21
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
Thiazole-5-carboxylic acid
CID 84494
2-Acetyl-1,3-thiazole-5-carboxylic acid
CID 49853468
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 58688333
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-Cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 43156427
2-Cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 64982499
2-(Cyclopropylmethyl)-1,3-thiazole-5-carboxylic acid
CID 80484484

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid (CID 164907573) is 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid is CS(=O)C1(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NZUYTIHSLVFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S2/c1-14(12)8(2-3-8)7-9-4-5(13-7)6(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfinylcyclopropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 164907573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).