4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid

C9H11NO2S2 — CID 80620012

IUPAC4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCCS2)sc1C(=O)O
InChIInChI=1S/C9H11NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyHGKGPBCUTDOXGL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80620012) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80620012
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Name4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCCS2)sc1C(=O)O
InChIInChI=1S/C9H11NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyHGKGPBCUTDOXGL-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-methyl-4-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037360
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
4-methyl-2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80586724
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39403538
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
4-methyl-2-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 176654966
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 79077578
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62766134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 80620012) is 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCCS2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HGKGPBCUTDOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80620012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).