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

C12H22N2OS — CID 62778647

IUPAC[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)CC(C)CC)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-9(3)7-14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3
InChIKeyQZXGGKCQSWZNJT-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.68
Rot. Bonds6

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

[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62778647) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62778647
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)CC(C)CC)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-9(3)7-14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3
InChIKeyQZXGGKCQSWZNJT-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778344
[4-ethyl-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780324
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780335
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480965
2-[methyl(2-methylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112845
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 107509753
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79381144

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 62778647) is [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CCc1nc(N(C)CC(C)CC)sc1CO.
What is the InChIKey of [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is QZXGGKCQSWZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-9(3)7-14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3.
What are the key properties of [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 242.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).