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

C6H8N2OS — CID 54486807

IUPAC3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESNc1nc(C=CCO)cs1
InChIInChI=1S/C6H8N2OS/c7-6-8-5(4-10-6)2-1-3-9/h1-2,4,9H,3H2,(H2,7,8)
InChIKeyXSWSSKPRHDHHLU-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.73
Rot. Bonds2

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

3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol (PubChem CID 54486807) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol
PubChem CID54486807
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESNc1nc(C=CCO)cs1
InChIInChI=1S/C6H8N2OS/c7-6-8-5(4-10-6)2-1-3-9/h1-2,4,9H,3H2,(H2,7,8)
InChIKeyXSWSSKPRHDHHLU-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol (CID 54486807) is 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol is Nc1nc(C=CCO)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol?
The InChIKey is XSWSSKPRHDHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-6-8-5(4-10-6)2-1-3-9/h1-2,4,9H,3H2,(H2,7,8).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol?
3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol has a molecular weight of 156.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 54486807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).