2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol

C13H24N2OS — CID 55055806

IUPAC2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol
SMILESCCCC(C)(CO)CN(C)Cc1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-5-6-13(3,10-16)9-15(4)7-12-8-17-11(2)14-12/h8,16H,5-7,9-10H2,1-4H3
InChIKeyBULYTBULTUFKOA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.68
Rot. Bonds7

About 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol

2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol (PubChem CID 55055806) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol
PubChem CID55055806
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol
SMILESCCCC(C)(CO)CN(C)Cc1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-5-6-13(3,10-16)9-15(4)7-12-8-17-11(2)14-12/h8,16H,5-7,9-10H2,1-4H3
InChIKeyBULYTBULTUFKOA-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
[1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 53528553
{3-(Cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl}methanol
CID 70746431
{3-(3-Methylbut-2-en-1-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl}methanol
CID 70759906
(3R*,4S*)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869993
{3-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidinyl}methanol
CID 72872113
2-[(2-Butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol
CID 75455978
9-[(2-Propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 86771402
[(3S)-1-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-3-propylpyrrolidin-3-yl]methanol
CID 164635447
[4-Ethyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 109901556
1,1,1-Trifluoro-3-[methyl-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]amino]propan-2-ol
CID 109968098
3-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol (CID 55055806) is 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol is CCCC(C)(CO)CN(C)Cc1csc(C)n1.
What is the InChIKey of 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol?
The InChIKey is BULYTBULTUFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-6-13(3,10-16)9-15(4)7-12-8-17-11(2)14-12/h8,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol?
2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 55055806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).