2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide

C8H13N3OS — CID 42281841

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-10-7(12)4-6-5-13-8(9)11-6/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyBZUSHCNFBYZIHG-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.79
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide (PubChem CID 42281841) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide
PubChem CID42281841
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-10-7(12)4-6-5-13-8(9)11-6/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyBZUSHCNFBYZIHG-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide (CID 42281841) is 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide is CCCNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide?
The InChIKey is BZUSHCNFBYZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-3-10-7(12)4-6-5-13-8(9)11-6/h5H,2-4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide has a molecular weight of 199.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 42281841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).