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

C14H26N2OS — CID 55117715

IUPAC[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C14H26N2OS/c1-7-10(2)8-16(6)13-15-12(14(3,4)5)11(9-17)18-13/h10,17H,7-9H2,1-6H3
InChIKeyMCNWOMZYQSQXRA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.42
Rot. Bonds5

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

[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 55117715) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID55117715
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C14H26N2OS/c1-7-10(2)8-16(6)13-15-12(14(3,4)5)11(9-17)18-13/h10,17H,7-9H2,1-6H3
InChIKeyMCNWOMZYQSQXRA-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780337
[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780003
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79381144
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752
[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 63706858
[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
CID 102998063
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 107509753

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 55117715) is [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CCC(C)CN(C)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is MCNWOMZYQSQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-10(2)8-16(6)13-15-12(14(3,4)5)11(9-17)18-13/h10,17H,7-9H2,1-6H3.
What are the key properties of [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 270.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).