5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole

C13H15ClN2OS — CID 60673612

IUPAC5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
SMILESCc1ccc(C(C)C)cc1OCc1nnsc1Cl
InChIInChI=1S/C13H15ClN2OS/c1-8(2)10-5-4-9(3)12(6-10)17-7-11-13(14)18-16-15-11/h4-6,8H,7H2,1-3H3
InChIKeyMKYNDOOHQHHGKX-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole

5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole (PubChem CID 60673612) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
PubChem CID60673612
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
SMILESCc1ccc(C(C)C)cc1OCc1nnsc1Cl
InChIInChI=1S/C13H15ClN2OS/c1-8(2)10-5-4-9(3)12(6-10)17-7-11-13(14)18-16-15-11/h4-6,8H,7H2,1-3H3
InChIKeyMKYNDOOHQHHGKX-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62189051
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
CID 43407935
4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 107285489
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
CID 43407940
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole (CID 60673612) is 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole is Cc1ccc(C(C)C)cc1OCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole?
The InChIKey is MKYNDOOHQHHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8(2)10-5-4-9(3)12(6-10)17-7-11-13(14)18-16-15-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole?
5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole has a molecular weight of 282.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 60673612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).