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

C15H19NOS — CID 113472367

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19NOS/c1-10-6-5-7-11(8-10)13(17)12-9-18-14(16-12)15(2,3)4/h5-9,13,17H,1-4H3
InChIKeyPJVHDLLLJNWIQC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.83
Rot. Bonds2

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

(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol (PubChem CID 113472367) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
PubChem CID113472367
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19NOS/c1-10-6-5-7-11(8-10)13(17)12-9-18-14(16-12)15(2,3)4/h5-9,13,17H,1-4H3
InChIKeyPJVHDLLLJNWIQC-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
CID 107559682
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809869
(3-methylphenyl)-(6-methyl-2-pyridinyl)methanol
CID 63553989
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
CID 114518744
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol (CID 113472367) is (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2csc(C(C)(C)C)n2)c1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol?
The InChIKey is PJVHDLLLJNWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-6-5-7-11(8-10)13(17)12-9-18-14(16-12)15(2,3)4/h5-9,13,17H,1-4H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol has a molecular weight of 261.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol is sourced from PubChem (CID 113472367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).