2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C9H13N3O3S — CID 66374025

IUPAC2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNCCC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H13N3O3S/c10-3-1-7(13)11-4-2-8-12-6(5-16-8)9(14)15/h5H,1-4,10H2,(H,11,13)(H,14,15)
InChIKeyGFZVMVUWZILVSN-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.15
Rot. Bonds6

About 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374025) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374025
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNCCC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H13N3O3S/c10-3-1-7(13)11-4-2-8-12-6(5-16-8)9(14)15/h5H,1-4,10H2,(H,11,13)(H,14,15)
InChIKeyGFZVMVUWZILVSN-UHFFFAOYSA-N
XLogP-0.15
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(pent-4-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373116
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396
2-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122561182
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[2-[(2-ethoxy-2-oxoacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 110461569
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79291389
2-[2-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374654
2-[2-(2-methylpropoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373321
2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375434

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374025) is 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is NCCC(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GFZVMVUWZILVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-3-1-7(13)11-4-2-8-12-6(5-16-8)9(14)15/h5H,1-4,10H2,(H,11,13)(H,14,15).
What are the key properties of 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).