3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide

C6H11N3OS — CID 174250450

IUPAC3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNCCN1C=CSC1C(N)=O
InChIInChI=1S/C6H11N3OS/c7-1-2-9-3-4-11-6(9)5(8)10/h3-4,6H,1-2,7H2,(H2,8,10)
InChIKeyIZYPRCJKOJUZRF-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.72
Rot. Bonds3

About 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide

3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide (PubChem CID 174250450) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide
PubChem CID174250450
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNCCN1C=CSC1C(N)=O
InChIInChI=1S/C6H11N3OS/c7-1-2-9-3-4-11-6(9)5(8)10/h3-4,6H,1-2,7H2,(H2,8,10)
InChIKeyIZYPRCJKOJUZRF-UHFFFAOYSA-N
XLogP-0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide (CID 174250450) is 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide is NCCN1C=CSC1C(N)=O.
What is the InChIKey of 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide?
The InChIKey is IZYPRCJKOJUZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-1-2-9-3-4-11-6(9)5(8)10/h3-4,6H,1-2,7H2,(H2,8,10).
What are the key properties of 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide?
3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide has a molecular weight of 173.24 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 174250450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).