2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol

C8H14N2OS — CID 19974126

IUPAC2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
SMILESCCCc1nc(C(O)CN)cs1
InChIInChI=1S/C8H14N2OS/c1-2-3-8-10-6(5-12-8)7(11)4-9/h5,7,11H,2-4,9H2,1H3
InChIKeyDAFOAVIVYACVEM-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol

2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol (PubChem CID 19974126) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
PubChem CID19974126
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
SMILESCCCc1nc(C(O)CN)cs1
InChIInChI=1S/C8H14N2OS/c1-2-3-8-10-6(5-12-8)7(11)4-9/h5,7,11H,2-4,9H2,1H3
InChIKeyDAFOAVIVYACVEM-UHFFFAOYSA-N
XLogP1.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol (CID 19974126) is 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol is CCCc1nc(C(O)CN)cs1.
What is the InChIKey of 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is DAFOAVIVYACVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-3-8-10-6(5-12-8)7(11)4-9/h5,7,11H,2-4,9H2,1H3.
What are the key properties of 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol?
2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 186.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 19974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).