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

C9H14N2OS — CID 46785170

IUPAC2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESOCCNC(c1nccs1)C1CC1
InChIInChI=1S/C9H14N2OS/c12-5-3-10-8(7-1-2-7)9-11-4-6-13-9/h4,6-8,10,12H,1-3,5H2
InChIKeyKLLAIGPQBUPCPK-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.18
Rot. Bonds5

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

2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol (PubChem CID 46785170) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
PubChem CID46785170
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESOCCNC(c1nccs1)C1CC1
InChIInChI=1S/C9H14N2OS/c12-5-3-10-8(7-1-2-7)9-11-4-6-13-9/h4,6-8,10,12H,1-3,5H2
InChIKeyKLLAIGPQBUPCPK-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622
1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 115655386
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol (CID 46785170) is 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol is OCCNC(c1nccs1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol?
The InChIKey is KLLAIGPQBUPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-5-3-10-8(7-1-2-7)9-11-4-6-13-9/h4,6-8,10,12H,1-3,5H2.
What are the key properties of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol?
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 46785170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).