5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid

C6H9N3O2S — CID 64631692

IUPAC5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
SMILESNCCNc1scnc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2,7H2,(H,10,11)
InChIKeyXPBMRWFIEIVOGT-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.21
Rot. Bonds4

About 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid

5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631692) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631692
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
SMILESNCCNc1scnc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2,7H2,(H,10,11)
InChIKeyXPBMRWFIEIVOGT-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

5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295
5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
5-(2-methylsulfanylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629683
5-(5-methylhexylamino)-1,3-thiazole-4-carboxylic acid
CID 115327010
5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
CID 106215466
5-[[3-(tert-butylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylic acid
CID 113411095
5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64628892
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108
5-(pyridin-4-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64630479
5-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylic acid
CID 83147542

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid (CID 64631692) is 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid is NCCNc1scnc1C(=O)O.
What is the InChIKey of 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XPBMRWFIEIVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-1-2-8-5-4(6(10)11)9-3-12-5/h3,8H,1-2,7H2,(H,10,11).
What are the key properties of 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid?
5-(2-aminoethylamino)-1,3-thiazole-4-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 5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).