[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol

C13H15NOS2 — CID 116836394

IUPAC[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCSc1ccc(-c2nc(C)c(CO)s2)cc1
InChIInChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)13-14-9(2)12(8-15)17-13/h4-7,15H,3,8H2,1-2H3
InChIKeyKEDDNUKVPJCMFU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.72
Rot. Bonds4

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

[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 116836394) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID116836394
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCSc1ccc(-c2nc(C)c(CO)s2)cc1
InChIInChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)13-14-9(2)12(8-15)17-13/h4-7,15H,3,8H2,1-2H3
InChIKeyKEDDNUKVPJCMFU-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193716
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
CID 106850212
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 116836394) is [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol is CCSc1ccc(-c2nc(C)c(CO)s2)cc1.
What is the InChIKey of [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is KEDDNUKVPJCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)13-14-9(2)12(8-15)17-13/h4-7,15H,3,8H2,1-2H3.
What are the key properties of [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 116836394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).