1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol

C6H10N2OS — CID 22081012

IUPAC1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1ncc(C(C)O)s1
InChIInChI=1S/C6H10N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyXEMXKCXHGHTLQJ-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.24
Rot. Bonds2

About 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol

1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol (PubChem CID 22081012) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
PubChem CID22081012
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1ncc(C(C)O)s1
InChIInChI=1S/C6H10N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3-4,9H,1-2H3,(H,7,8)
InChIKeyXEMXKCXHGHTLQJ-UHFFFAOYSA-N
XLogP1.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol (CID 22081012) is 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol is CNc1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is XEMXKCXHGHTLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(9)5-3-8-6(7-2)10-5/h3-4,9H,1-2H3,(H,7,8).
What are the key properties of 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 158.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 22081012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).