3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole

C12H13ClN2OS — CID 63506599

IUPAC3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)ccc1C(C)C
InChIInChI=1S/C12H13ClN2OS/c1-7(2)10-5-4-9(6-8(10)3)16-12-11(13)14-17-15-12/h4-7H,1-3H3
InChIKeyBISKVIAPXUGSTJ-UHFFFAOYSA-N
MW268.77 g/mol
LogP4.42
Rot. Bonds3

About 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole

3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole (PubChem CID 63506599) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
PubChem CID63506599
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)ccc1C(C)C
InChIInChI=1S/C12H13ClN2OS/c1-7(2)10-5-4-9(6-8(10)3)16-12-11(13)14-17-15-12/h4-7H,1-3H3
InChIKeyBISKVIAPXUGSTJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 60726053
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
CID 83153578
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole (CID 63506599) is 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole is Cc1cc(Oc2nsnc2Cl)ccc1C(C)C.
What is the InChIKey of 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The InChIKey is BISKVIAPXUGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-7(2)10-5-4-9(6-8(10)3)16-12-11(13)14-17-15-12/h4-7H,1-3H3.
What are the key properties of 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole has a molecular weight of 268.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 63506599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).