ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol

C14H20N2OS — CID 144948289

IUPACethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
SMILESCC.Cc1ccc(-c2nnc(C(C)(C)O)s2)cc1
InChIInChI=1S/C12H14N2OS.C2H6/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15;1-2/h4-7,15H,1-3H3;1-2H3
InChIKeyIZRSDWHHJDLZGH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.77
Rot. Bonds2

About ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol

ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol (PubChem CID 144948289) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
PubChem CID144948289
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Nameethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
SMILESCC.Cc1ccc(-c2nnc(C(C)(C)O)s2)cc1
InChIInChI=1S/C12H14N2OS.C2H6/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15;1-2/h4-7,15H,1-3H3;1-2H3
InChIKeyIZRSDWHHJDLZGH-UHFFFAOYSA-N
XLogP3.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 123885731
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 3555790
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The IUPAC name of ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol (CID 144948289) is ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol.
What is the SMILES notation for ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The canonical SMILES for ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol is CC.Cc1ccc(-c2nnc(C(C)(C)O)s2)cc1.
What is the InChIKey of ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The InChIKey is IZRSDWHHJDLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.C2H6/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15;1-2/h4-7,15H,1-3H3;1-2H3.
What are the key properties of ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol has a molecular weight of 264.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol is sourced from PubChem (CID 144948289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).