5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole

C11H11ClN2OS — CID 43407921

IUPAC5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole
SMILESCc1cccc(C)c1OCc1nnsc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-4-3-5-8(2)10(7)15-6-9-11(12)16-14-13-9/h3-5H,6H2,1-2H3
InChIKeyZZLWRSLFZFIXJP-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.39
Rot. Bonds3

About 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole

5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole (PubChem CID 43407921) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole
PubChem CID43407921
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole
SMILESCc1cccc(C)c1OCc1nnsc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-4-3-5-8(2)10(7)15-6-9-11(12)16-14-13-9/h3-5H,6H2,1-2H3
InChIKeyZZLWRSLFZFIXJP-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
CID 43407940
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62195627
N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
CID 62188547
(5-chlorothiadiazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55419183
5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
CID 29249830
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445483
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
4-[(2,6-dimethylphenoxy)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226948
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
(5-chlorothiadiazol-4-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 33002914
(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)-3-methoxybenzoate
CID 55419939

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole (CID 43407921) is 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole is Cc1cccc(C)c1OCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole?
The InChIKey is ZZLWRSLFZFIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-4-3-5-8(2)10(7)15-6-9-11(12)16-14-13-9/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole?
5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole has a molecular weight of 254.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 43407921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).