[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

C16H17F2NO3S — CID 2742539

IUPAC[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H17F2NO3S/c1-16(2,3)14(20)21-8-13-19-12(9-23-13)10-4-6-11(7-5-10)22-15(17)18/h4-7,9,15H,8H2,1-3H3
InChIKeyDKPXVZDBWSSLJF-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.50
Rot. Bonds5

About [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 2742539) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID2742539
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H17F2NO3S/c1-16(2,3)14(20)21-8-13-19-12(9-23-13)10-4-6-11(7-5-10)22-15(17)18/h4-7,9,15H,8H2,1-3H3
InChIKeyDKPXVZDBWSSLJF-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337466
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19452519
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
2-amino-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787149
2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338857
3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62667414
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
1,3-thiazol-2-ylmethyl 2,2-dimethylpropanoate
CID 68640764
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270926

Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (CID 2742539) is [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is DKPXVZDBWSSLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-16(2,3)14(20)21-8-13-19-12(9-23-13)10-4-6-11(7-5-10)22-15(17)18/h4-7,9,15H,8H2,1-3H3.
What are the key properties of [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 341.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 2742539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).