ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid

C8H13NO3S — CID 143933478

IUPACethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCC.Cc1nc(CO)c(C(=O)O)s1
InChIInChI=1S/C6H7NO3S.C2H6/c1-3-7-4(2-8)5(11-3)6(9)10;1-2/h8H,2H2,1H3,(H,9,10);1-2H3
InChIKeyDKCRYDMLNJROGR-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.67
Rot. Bonds2

About ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid

ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 143933478) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Nameethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID143933478
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCC.Cc1nc(CO)c(C(=O)O)s1
InChIInChI=1S/C6H7NO3S.C2H6/c1-3-7-4(2-8)5(11-3)6(9)10;1-2/h8H,2H2,1H3,(H,9,10);1-2H3
InChIKeyDKCRYDMLNJROGR-UHFFFAOYSA-N
XLogP1.67
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
ethane;2-methyl-4-(2-phenylethyl)-1,3-thiazole-5-carboxylic acid
CID 143933440
4-hexyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885553
ethane;2-methyl-4-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 143933503
ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 143933499
4-[(3-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82485941
2-methyl-4-[2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 22003636
4-[(4-butoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933460
4-[(3-carboxycyclohexa-2,4-dien-1-yl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919707
4-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919695
2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 149120957
4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933501

Frequently Asked Questions

What is the IUPAC name of ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid (CID 143933478) is ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid is CC.Cc1nc(CO)c(C(=O)O)s1.
What is the InChIKey of ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DKCRYDMLNJROGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S.C2H6/c1-3-7-4(2-8)5(11-3)6(9)10;1-2/h8H,2H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(hydroxymethyl)-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 143933478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).