2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol

C9H13ClN2OS — CID 102865906

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)cs1)C1CCC1
InChIInChI=1S/C9H13ClN2OS/c10-8-6-14-9(11-8)12(4-5-13)7-2-1-3-7/h6-7,13H,1-5H2
InChIKeyGMENBBBNIBUILF-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.15
Rot. Bonds4

About 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol

2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol (PubChem CID 102865906) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
PubChem CID102865906
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)cs1)C1CCC1
InChIInChI=1S/C9H13ClN2OS/c10-8-6-14-9(11-8)12(4-5-13)7-2-1-3-7/h6-7,13H,1-5H2
InChIKeyGMENBBBNIBUILF-UHFFFAOYSA-N
XLogP2.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
CID 79400025
3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102846790
N-(2-chloroethyl)-N-cyclohexyl-4-methyl-1,3-thiazol-2-amine
CID 63388279
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
CID 102675319
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
CID 102865921
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol (CID 102865906) is 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol is OCCN(c1nc(Cl)cs1)C1CCC1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol?
The InChIKey is GMENBBBNIBUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-8-6-14-9(11-8)12(4-5-13)7-2-1-3-7/h6-7,13H,1-5H2.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol?
2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol has a molecular weight of 232.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102865906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).