2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

C8H9NO2S — CID 23509711

IUPAC2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CC2)sc1C(=O)O
InChIInChI=1S/C8H9NO2S/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyPYBUBSXEEWCBEK-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.03
Rot. Bonds2

About 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 23509711) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID23509711
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CC2)sc1C(=O)O
InChIInChI=1S/C8H9NO2S/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKeyPYBUBSXEEWCBEK-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2824058
2-Cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23020345
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
2-Ethoxy-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885484
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid (CID 23509711) is 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CC2)sc1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYBUBSXEEWCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid?
2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 23509711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).