2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol

C10H16N2OS — CID 46785192

IUPAC2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESCc1cnc(C(NCCO)C2CC2)s1
InChIInChI=1S/C10H16N2OS/c1-7-6-12-10(14-7)9(8-2-3-8)11-4-5-13/h6,8-9,11,13H,2-5H2,1H3
InChIKeyKLJYBHNHZZWXJP-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.48
Rot. Bonds5

About 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol

2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol (PubChem CID 46785192) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
PubChem CID46785192
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESCc1cnc(C(NCCO)C2CC2)s1
InChIInChI=1S/C10H16N2OS/c1-7-6-12-10(14-7)9(8-2-3-8)11-4-5-13/h6,8-9,11,13H,2-5H2,1H3
InChIKeyKLJYBHNHZZWXJP-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol (CID 46785192) is 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol is Cc1cnc(C(NCCO)C2CC2)s1.
What is the InChIKey of 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The InChIKey is KLJYBHNHZZWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-12-10(14-7)9(8-2-3-8)11-4-5-13/h6,8-9,11,13H,2-5H2,1H3.
What are the key properties of 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol has a molecular weight of 212.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 46785192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).