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

C15H26N2OS — CID 115758448

IUPAC1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1csc(C(C)(C)C)n1)CC1(O)CCCC1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)13-16-12(10-19-13)9-17(4)11-15(18)7-5-6-8-15/h10,18H,5-9,11H2,1-4H3
InChIKeyLLDZPLVSQXWYBR-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.18
Rot. Bonds4

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

1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 115758448) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID115758448
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1csc(C(C)(C)C)n1)CC1(O)CCCC1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)13-16-12(10-19-13)9-17(4)11-15(18)7-5-6-8-15/h10,18H,5-9,11H2,1-4H3
InChIKeyLLDZPLVSQXWYBR-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397882
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 51078859
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
1-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 114952613
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445318
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186891
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 37218056

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 115758448) is 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1csc(C(C)(C)C)n1)CC1(O)CCCC1.
What is the InChIKey of 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is LLDZPLVSQXWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-14(2,3)13-16-12(10-19-13)9-17(4)11-15(18)7-5-6-8-15/h10,18H,5-9,11H2,1-4H3.
What are the key properties of 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(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 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115758448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).