[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol

C15H26N2O2S — CID 63706858

IUPAC[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC1CCOCC1)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)13-12(10-18)20-14(16-13)17(4)9-11-5-7-19-8-6-11/h11,18H,5-10H2,1-4H3
InChIKeyHHFRZBRSCPCVFF-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.80
Rot. Bonds4

About [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63706858) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63706858
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC1CCOCC1)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)13-12(10-18)20-14(16-13)17(4)9-11-5-7-19-8-6-11/h11,18H,5-10H2,1-4H3
InChIKeyHHFRZBRSCPCVFF-UHFFFAOYSA-N
XLogP2.80
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393576
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63705683
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715
1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63707531
methyl 4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63706083
4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63916614
4-tert-butyl-N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63938359
[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780337
[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
CID 102998063

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (CID 63706858) is [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CC1CCOCC1)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is HHFRZBRSCPCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,3)13-12(10-18)20-14(16-13)17(4)9-11-5-7-19-8-6-11/h11,18H,5-10H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 298.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63706858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).