[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol

C11H18N2O2S — CID 62753863

IUPAC[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC1CCCCO1)c1ncc(CO)s1
InChIInChI=1S/C11H18N2O2S/c1-13(7-9-4-2-3-5-15-9)11-12-6-10(8-14)16-11/h6,9,14H,2-5,7-8H2,1H3
InChIKeyKHQIKGQBDWMXBE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.64
Rot. Bonds4

About [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol

[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62753863) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62753863
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC1CCCCO1)c1ncc(CO)s1
InChIInChI=1S/C11H18N2O2S/c1-13(7-9-4-2-3-5-15-9)11-12-6-10(8-14)16-11/h6,9,14H,2-5,7-8H2,1H3
InChIKeyKHQIKGQBDWMXBE-UHFFFAOYSA-N
XLogP1.64
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753865
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
[5-methyl-6-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 80632448
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765122
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55114086
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62753863) is [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CC1CCCCO1)c1ncc(CO)s1.
What is the InChIKey of [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is KHQIKGQBDWMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-13(7-9-4-2-3-5-15-9)11-12-6-10(8-14)16-11/h6,9,14H,2-5,7-8H2,1H3.
What are the key properties of [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 242.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62753863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).