2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane

C8H13NO2S — CID 143933494

IUPAC2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
SMILESCC.Cc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H7NO2S.C2H6/c1-3-5(6(8)9)10-4(2)7-3;1-2/h1-2H3,(H,8,9);1-2H3
InChIKeyWNQCZQSMJMOCOU-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.48
Rot. Bonds1

About 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane

2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane (PubChem CID 143933494) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
PubChem CID143933494
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
SMILESCC.Cc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H7NO2S.C2H6/c1-3-5(6(8)9)10-4(2)7-3;1-2/h1-2H3,(H,8,9);1-2H3
InChIKeyWNQCZQSMJMOCOU-UHFFFAOYSA-N
XLogP2.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 143933478
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane?
The IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane (CID 143933494) is 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane is CC.Cc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane?
The InChIKey is WNQCZQSMJMOCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.C2H6/c1-3-5(6(8)9)10-4(2)7-3;1-2/h1-2H3,(H,8,9);1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane?
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane has a molecular weight of 187.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane is sourced from PubChem (CID 143933494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).