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

C6H9N3O2S — CID 130569064

IUPAC2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
SMILESNCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C6H9N3O2S/c7-1-2-8-6-9-3-4(12-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyCMOVBQAKSXMUCD-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.21
Rot. Bonds4

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

2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 130569064) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID130569064
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
SMILESNCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C6H9N3O2S/c7-1-2-8-6-9-3-4(12-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyCMOVBQAKSXMUCD-UHFFFAOYSA-N
XLogP0.21
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
CID 115409393
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-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
2-[2-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-5-carboxylic acid
CID 80571729
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 106006443
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404
2-[4-[methyl(propan-2-yl)amino]butylamino]-1,3-thiazole-5-carboxylic acid
CID 80571247
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid (CID 130569064) is 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid is NCCNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CMOVBQAKSXMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-1-2-8-6-9-3-4(12-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid?
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130569064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).