3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C7H8N2O3S — CID 117215213

IUPAC3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C7H8N2O3S/c1-9(2)6(10)4-3-5(7(11)12)13-8-4/h3H,1-2H3,(H,11,12)
InChIKeyYLTPRQLDIXUQNT-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.54
Rot. Bonds2

About 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid

3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215213) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215213
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C7H8N2O3S/c1-9(2)6(10)4-3-5(7(11)12)13-8-4/h3H,1-2H3,(H,11,12)
InChIKeyYLTPRQLDIXUQNT-UHFFFAOYSA-N
XLogP0.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbamoyl-1,2-thiazole-5-carboxylic acid
CID 117215211
5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide
CID 123238714
[3-(Dimethylcarbamoyl)-1,2-thiazol-5-yl]methyl hypoiodite
CID 144387416
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
5-Carbamoyl-1,2-thiazole-3-carboxylic acid
CID 13167781
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215215
3-(Azepane-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215216

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 117215213) is 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CN(C)C(=O)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is YLTPRQLDIXUQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-9(2)6(10)4-3-5(7(11)12)13-8-4/h3H,1-2H3,(H,11,12).
What are the key properties of 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).