N-(2-aminoethyl)-1,3-thiazole-5-carboxamide

C6H9N3OS — CID 83617604

IUPACN-(2-aminoethyl)-1,3-thiazole-5-carboxamide
SMILESNCCNC(=O)c1cncs1
InChIInChI=1S/C6H9N3OS/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2,7H2,(H,9,10)
InChIKeyIIOVGOAURVRYOW-UHFFFAOYSA-N
MW171.23 g/mol
LogP-0.17
Rot. Bonds3

About N-(2-aminoethyl)-1,3-thiazole-5-carboxamide

N-(2-aminoethyl)-1,3-thiazole-5-carboxamide (PubChem CID 83617604) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-thiazole-5-carboxamide
PubChem CID83617604
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN-(2-aminoethyl)-1,3-thiazole-5-carboxamide
SMILESNCCNC(=O)c1cncs1
InChIInChI=1S/C6H9N3OS/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2,7H2,(H,9,10)
InChIKeyIIOVGOAURVRYOW-UHFFFAOYSA-N
XLogP-0.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,3-thiazole-5-carboxamide (CID 83617604) is N-(2-aminoethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,3-thiazole-5-carboxamide is NCCNC(=O)c1cncs1.
What is the InChIKey of N-(2-aminoethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IIOVGOAURVRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2,7H2,(H,9,10).
What are the key properties of N-(2-aminoethyl)-1,3-thiazole-5-carboxamide?
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 171.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 83617604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).