(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

C15H15F2NO3S — CID 55571035

IUPAC(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESCCCc1nc(COC(=O)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H15F2NO3S/c1-2-5-13-18-10(9-22-13)8-20-14(19)11-6-3-4-7-12(11)21-15(16)17/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKeyIGPKHQODRCJPPQ-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.05
Rot. Bonds7

About (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (PubChem CID 55571035) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
PubChem CID55571035
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESCCCc1nc(COC(=O)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H15F2NO3S/c1-2-5-13-18-10(9-22-13)8-20-14(19)11-6-3-4-7-12(11)21-15(16)17/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKeyIGPKHQODRCJPPQ-UHFFFAOYSA-N
XLogP4.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
(2-propyl-1,3-thiazol-4-yl)methyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 56512360
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (CID 55571035) is (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is CCCc1nc(COC(=O)c2ccccc2OC(F)F)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The InChIKey is IGPKHQODRCJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-2-5-13-18-10(9-22-13)8-20-14(19)11-6-3-4-7-12(11)21-15(16)17/h3-4,6-7,9,15H,2,5,8H2,1H3.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate has a molecular weight of 327.35 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55571035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).