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

C15H18ClNOS — CID 107559682

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc(C(C)(C)C)n2)cc1Cl
InChIInChI=1S/C15H18ClNOS/c1-9-5-6-10(7-11(9)16)13(18)12-8-19-14(17-12)15(2,3)4/h5-8,13,18H,1-4H3
InChIKeyXLUVCGQKCKTBNN-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.48
Rot. Bonds2

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

(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol (PubChem CID 107559682) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
PubChem CID107559682
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc(C(C)(C)C)n2)cc1Cl
InChIInChI=1S/C15H18ClNOS/c1-9-5-6-10(7-11(9)16)13(18)12-8-19-14(17-12)15(2,3)4/h5-8,13,18H,1-4H3
InChIKeyXLUVCGQKCKTBNN-UHFFFAOYSA-N
XLogP4.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
CID 113472367
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
CID 114518744
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168
(2-tert-butyl-1,3-thiazol-4-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114638417
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 106818065
(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809869
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol (CID 107559682) is (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2csc(C(C)(C)C)n2)cc1Cl.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol?
The InChIKey is XLUVCGQKCKTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-9-5-6-10(7-11(9)16)13(18)12-8-19-14(17-12)15(2,3)4/h5-8,13,18H,1-4H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol has a molecular weight of 295.84 g/mol, XLogP of 4.48, 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-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 107559682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).