(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol

C9H15NOS — CID 82438236

IUPAC(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-6-10-8(9(2,3)4)7(5-11)12-6/h11H,5H2,1-4H3
InChIKeyFEPMOGFGGYMLAN-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.24
Rot. Bonds1

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

(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 82438236) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol
PubChem CID82438236
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-6-10-8(9(2,3)4)7(5-11)12-6/h11H,5H2,1-4H3
InChIKeyFEPMOGFGGYMLAN-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
5-bromo-4-tert-butyl-2-methyl-1,3-thiazole
CID 59263670
(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 23560686
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
CID 82439271
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82439572
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715
[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-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol (CID 82438236) is (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol is Cc1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is FEPMOGFGGYMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6-10-8(9(2,3)4)7(5-11)12-6/h11H,5H2,1-4H3.
What are the key properties of (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol?
(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 185.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 82438236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).