2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol

C11H18N2OS — CID 115733110

IUPAC2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNCc2cncs2)CCC1
InChIInChI=1S/C11H18N2OS/c14-5-4-11(2-1-3-11)8-12-6-10-7-13-9-15-10/h7,9,12,14H,1-6,8H2
InChIKeyUXRNNTFBBUNVKX-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.79
Rot. Bonds6

About 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol

2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol (PubChem CID 115733110) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
PubChem CID115733110
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNCc2cncs2)CCC1
InChIInChI=1S/C11H18N2OS/c14-5-4-11(2-1-3-11)8-12-6-10-7-13-9-15-10/h7,9,12,14H,1-6,8H2
InChIKeyUXRNNTFBBUNVKX-UHFFFAOYSA-N
XLogP1.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 104874274
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732724
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733135
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
5-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]thiophene-3-carboxylic acid
CID 114756041
[1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759471
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 104957609
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol (CID 115733110) is 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol is OCCC1(CNCc2cncs2)CCC1.
What is the InChIKey of 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol?
The InChIKey is UXRNNTFBBUNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-5-4-11(2-1-3-11)8-12-6-10-7-13-9-15-10/h7,9,12,14H,1-6,8H2.
What are the key properties of 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol?
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol is sourced from PubChem (CID 115733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).