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

C12H13NO2S2 — CID 142562513

IUPAC(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncc(C(O)c2ccc(S(C)=O)cc2)s1
InChIInChI=1S/C12H13NO2S2/c1-8-13-7-11(16-8)12(14)9-3-5-10(6-4-9)17(2)15/h3-7,12,14H,1-2H3
InChIKeyOKCMAYQVMGOBOR-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.27
Rot. Bonds3

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

(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 142562513) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol
PubChem CID142562513
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncc(C(O)c2ccc(S(C)=O)cc2)s1
InChIInChI=1S/C12H13NO2S2/c1-8-13-7-11(16-8)12(14)9-3-5-10(6-4-9)17(2)15/h3-7,12,14H,1-2H3
InChIKeyOKCMAYQVMGOBOR-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
CID 19995246
(2-methyl-1,3-thiazol-5-yl)-(1,2-thiazol-3-yl)methanol
CID 131064888
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580412
cyclopropyl-(4-methylsulfinylphenyl)methanol
CID 123697459
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
CID 58048573
(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
CID 113297017
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
CID 126972584
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
methyl 2-chloro-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580444
2-chloro-2-(4-methylsulfinylphenyl)acetamide
CID 70044998

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol (CID 142562513) is (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol is Cc1ncc(C(O)c2ccc(S(C)=O)cc2)s1.
What is the InChIKey of (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is OKCMAYQVMGOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-8-13-7-11(16-8)12(14)9-3-5-10(6-4-9)17(2)15/h3-7,12,14H,1-2H3.
What are the key properties of (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol?
(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 267.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 142562513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).