(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate

C14H15ClN2O4S — CID 46618378

IUPAC(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCc2nnsc2Cl)ccc1OC(C)C
InChIInChI=1S/C14H15ClN2O4S/c1-8(2)21-11-5-4-9(6-12(11)19-3)14(18)20-7-10-13(15)22-17-16-10/h4-6,8H,7H2,1-3H3
InChIKeyUOYWYVKFZOLXDG-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.34
Rot. Bonds6

About (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate

(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate (PubChem CID 46618378) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
PubChem CID46618378
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCc2nnsc2Cl)ccc1OC(C)C
InChIInChI=1S/C14H15ClN2O4S/c1-8(2)21-11-5-4-9(6-12(11)19-3)14(18)20-7-10-13(15)22-17-16-10/h4-6,8H,7H2,1-3H3
InChIKeyUOYWYVKFZOLXDG-UHFFFAOYSA-N
XLogP3.34
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chlorothiadiazol-4-yl)methyl 5-chloro-2-methoxybenzoate
CID 30501026
2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
CID 78788742
(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
(2-chloro-7-methylquinolin-3-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
CID 16501037
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(5-chloro-1-methylimidazol-2-yl)methyl 3,4-dimethoxybenzoate
CID 46538283
[2-(4-acetamidoanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501375
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501118
1-cyanoethyl 3-methoxy-4-propan-2-yloxybenzoate
CID 16501215
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501182

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate (CID 46618378) is (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCc2nnsc2Cl)ccc1OC(C)C.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is UOYWYVKFZOLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-8(2)21-11-5-4-9(6-12(11)19-3)14(18)20-7-10-13(15)22-17-16-10/h4-6,8H,7H2,1-3H3.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 342.80 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 46618378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).