2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole

C10H9ClN2OS — CID 80611604

IUPAC2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
SMILESCc1ccc(OCc2nnc(Cl)s2)cc1
InChIInChI=1S/C10H9ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3
InChIKeyNCESSUJCVDQWIO-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole

2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole (PubChem CID 80611604) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
PubChem CID80611604
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
SMILESCc1ccc(OCc2nnc(Cl)s2)cc1
InChIInChI=1S/C10H9ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3
InChIKeyNCESSUJCVDQWIO-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
CID 80609998
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
CID 80606126
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
1-(2,4-dichlorophenyl)-3-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1335509
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80611058
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole (CID 80611604) is 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole is Cc1ccc(OCc2nnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole?
The InChIKey is NCESSUJCVDQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80611604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).