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

C11H12N2O2S2 — CID 115424902

IUPAC5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccsc1CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C11H12N2O2S2/c1-6-3-4-16-8(6)5-12-11-13-9(10(14)15)7(2)17-11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGIUNKPRRADLMLL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.13
Rot. Bonds4

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

5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 115424902) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID115424902
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccsc1CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C11H12N2O2S2/c1-6-3-4-16-8(6)5-12-11-13-9(10(14)15)7(2)17-11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGIUNKPRRADLMLL-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424900
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115423761
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
5-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424282
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
ethyl 2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 80569337
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid (CID 115424902) is 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid is Cc1ccsc1CNc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GIUNKPRRADLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-6-3-4-16-8(6)5-12-11-13-9(10(14)15)7(2)17-11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).