2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol

C15H26N2OS — CID 109397882

IUPAC2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1csc(C(C)(C)C)n1)CC1CCCC1O
InChIInChI=1S/C15H26N2OS/c1-15(2,3)14-16-12(10-19-14)9-17(4)8-11-6-5-7-13(11)18/h10-11,13,18H,5-9H2,1-4H3
InChIKeyBQBCEXDOAAMWCB-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.03
Rot. Bonds4

About 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol

2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109397882) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109397882
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1csc(C(C)(C)C)n1)CC1CCCC1O
InChIInChI=1S/C15H26N2OS/c1-15(2,3)14-16-12(10-19-14)9-17(4)8-11-6-5-7-13(11)18/h10-11,13,18H,5-9H2,1-4H3
InChIKeyBQBCEXDOAAMWCB-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97330875
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 75437494
1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758448
2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398119
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 51078859
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 62609444
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186891
cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 125136229
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63638191
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 109397882) is 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1csc(C(C)(C)C)n1)CC1CCCC1O.
What is the InChIKey of 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BQBCEXDOAAMWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)14-16-12(10-19-14)9-17(4)8-11-6-5-7-13(11)18/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 282.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).