[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol

C10H9ClN2OS2 — CID 114865538

IUPAC[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
SMILESCc1nnc(Sc2ccc(Cl)cc2CO)s1
InChIInChI=1S/C10H9ClN2OS2/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-4,14H,5H2,1H3
InChIKeyQPSMPBJIICOURC-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.14
Rot. Bonds3

About [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol

[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol (PubChem CID 114865538) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
PubChem CID114865538
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC Name[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
SMILESCc1nnc(Sc2ccc(Cl)cc2CO)s1
InChIInChI=1S/C10H9ClN2OS2/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-4,14H,5H2,1H3
InChIKeyQPSMPBJIICOURC-UHFFFAOYSA-N
XLogP3.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol with MolForge

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Related Compounds

N-[[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 114864426
[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol
CID 114865454
2-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057623
2-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 81159748
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114893834
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
N-methyl-1-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114055412
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
CID 63814008

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol (CID 114865538) is [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol is Cc1nnc(Sc2ccc(Cl)cc2CO)s1.
What is the InChIKey of [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol?
The InChIKey is QPSMPBJIICOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-4,14H,5H2,1H3.
What are the key properties of [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol?
[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol has a molecular weight of 272.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 114865538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).