2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

C6H9N3OS — CID 3890422

IUPAC2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(N)=O)cs1
InChIInChI=1S/C6H9N3OS/c7-2-1-5-9-4(3-11-5)6(8)10/h3H,1-2,7H2,(H2,8,10)
InChIKeyJOAMSFJXHWQWDX-UHFFFAOYSA-N
MW171.22 g/mol
LogP-0.26
Rot. Bonds3

About 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3890422) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
PubChem CID3890422
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(N)=O)cs1
InChIInChI=1S/C6H9N3OS/c7-2-1-5-9-4(3-11-5)6(8)10/h3H,1-2,7H2,(H2,8,10)
InChIKeyJOAMSFJXHWQWDX-UHFFFAOYSA-N
XLogP-0.26
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (CID 3890422) is 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(N)=O)cs1.
What is the InChIKey of 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JOAMSFJXHWQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-2-1-5-9-4(3-11-5)6(8)10/h3H,1-2,7H2,(H2,8,10).
What are the key properties of 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 171.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).