4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid

C10H10N2O2S2 — CID 62795474

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1csc(Cc2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C10H10N2O2S2/c1-5-4-15-7(11-5)3-8-12-6(2)9(16-8)10(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyISLJOIPAPHNRCH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.51
Rot. Bonds3

About 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 62795474) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID62795474
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1csc(Cc2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C10H10N2O2S2/c1-5-4-15-7(11-5)3-8-12-6(2)9(16-8)10(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyISLJOIPAPHNRCH-UHFFFAOYSA-N
XLogP2.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 1482075
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
CID 9422762
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
CID 131842856
CID 131842856
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-[(2,5-dioxopyrrol-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628149
2-[(2-methoxy-3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969601
4-methyl-2-[(4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969593
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid (CID 62795474) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid is Cc1csc(Cc2nc(C)c(C(=O)O)s2)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ISLJOIPAPHNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-5-4-15-7(11-5)3-8-12-6(2)9(16-8)10(13)14/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62795474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).