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

C12H14N2OS — CID 123885731

IUPAC2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnc(C(C)(C)O)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15/h4-7,15H,1-3H3
InChIKeyFISPHKYQMWLSKD-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.74
Rot. Bonds2

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

2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol (PubChem CID 123885731) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
PubChem CID123885731
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnc(C(C)(C)O)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15/h4-7,15H,1-3H3
InChIKeyFISPHKYQMWLSKD-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 144948289
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
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
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
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2-tert-butyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol
CID 167360680

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol (CID 123885731) is 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol is Cc1ccc(-c2nnc(C(C)(C)O)s2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
The InChIKey is FISPHKYQMWLSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-4-6-9(7-5-8)10-13-14-11(16-10)12(2,3)15/h4-7,15H,1-3H3.
What are the key properties of 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol?
2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol has a molecular weight of 234.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol is sourced from PubChem (CID 123885731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).