2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid

C7H9N3O3S — CID 80571798

IUPAC2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCNC(=O)CNc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9N3O3S/c1-8-5(11)3-10-7-9-2-4(14-7)6(12)13/h2H,3H2,1H3,(H,8,11)(H,9,10)(H,12,13)
InChIKeyLQTKDTKYJUAPMN-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.00
Rot. Bonds4

About 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid

2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571798) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571798
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCNC(=O)CNc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9N3O3S/c1-8-5(11)3-10-7-9-2-4(14-7)6(12)13/h2H,3H2,1H3,(H,8,11)(H,9,10)(H,12,13)
InChIKeyLQTKDTKYJUAPMN-UHFFFAOYSA-N
XLogP-0.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
CID 106280433
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
CID 143328357
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
CID 115409393
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 113405769
N-methyl-2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]acetamide
CID 59698753
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
CID 80571694
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid (CID 80571798) is 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid is CNC(=O)CNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LQTKDTKYJUAPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-8-5(11)3-10-7-9-2-4(14-7)6(12)13/h2H,3H2,1H3,(H,8,11)(H,9,10)(H,12,13).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).