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

C6H10N2O2S — CID 105435823

IUPAC2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNCCC1=NC(C(=O)O)CS1
InChIInChI=1S/C6H10N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h4H,1-3,7H2,(H,9,10)
InChIKeyVMBNTWWDNVYVKM-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.07
Rot. Bonds3

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

2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 105435823) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID105435823
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNCCC1=NC(C(=O)O)CS1
InChIInChI=1S/C6H10N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h4H,1-3,7H2,(H,9,10)
InChIKeyVMBNTWWDNVYVKM-UHFFFAOYSA-N
XLogP-0.07
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 105435823) is 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is NCCC1=NC(C(=O)O)CS1.
What is the InChIKey of 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VMBNTWWDNVYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h4H,1-3,7H2,(H,9,10).
What are the key properties of 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 174.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 105435823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).