3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol

C6H8N2OS — CID 69220681

IUPAC3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol
SMILESC=C(O)Cc1nc(N)cs1
InChIInChI=1S/C6H8N2OS/c1-4(9)2-6-8-5(7)3-10-6/h3,9H,1-2,7H2
InChIKeyIYIXEOMCGAPZPA-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.34
Rot. Bonds2

About 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol

3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol (PubChem CID 69220681) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol
PubChem CID69220681
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol
SMILESC=C(O)Cc1nc(N)cs1
InChIInChI=1S/C6H8N2OS/c1-4(9)2-6-8-5(7)3-10-6/h3,9H,1-2,7H2
InChIKeyIYIXEOMCGAPZPA-UHFFFAOYSA-N
XLogP1.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol?
The IUPAC name of 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol (CID 69220681) is 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol.
What is the SMILES notation for 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol?
The canonical SMILES for 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol is C=C(O)Cc1nc(N)cs1.
What is the InChIKey of 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol?
The InChIKey is IYIXEOMCGAPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(9)2-6-8-5(7)3-10-6/h3,9H,1-2,7H2.
What are the key properties of 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol?
3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol has a molecular weight of 156.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3-thiazol-2-yl)prop-1-en-2-ol is sourced from PubChem (CID 69220681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).