2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole

C10H9ClN2OS — CID 63386396

IUPAC2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(C)cc1-c1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-3-4-8(14-2)7(5-6)9-12-13-10(11)15-9/h3-5H,1-2H3
InChIKeyZCHHZGRIFJJFCK-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole

2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole (PubChem CID 63386396) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
PubChem CID63386396
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(C)cc1-c1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-3-4-8(14-2)7(5-6)9-12-13-10(11)15-9/h3-5H,1-2H3
InChIKeyZCHHZGRIFJJFCK-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
CID 63383412
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
CID 116888989
[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889454
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890545
[5-(2-methoxy-5-methylphenyl)thiophen-2-yl]methanol
CID 82083127
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole (CID 63386396) is 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole is COc1ccc(C)cc1-c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is ZCHHZGRIFJJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-3-4-8(14-2)7(5-6)9-12-13-10(11)15-9/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole?
2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63386396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).