N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

C17H10F2N2O3S — CID 1222040

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H10F2N2O3S/c18-10-2-3-11(12(19)6-10)13-7-25-17(20-13)21-16(22)9-1-4-14-15(5-9)24-8-23-14/h1-7H,8H2,(H,20,21,22)
InChIKeyQWMSEUFKTPEXSF-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.07
Rot. Bonds3

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 1222040) has the molecular formula C17H10F2N2O3S and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID1222040
Molecular FormulaC17H10F2N2O3S
Molecular Weight360.34 g/mol
Exact Mass360.04
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H10F2N2O3S/c18-10-2-3-11(12(19)6-10)13-7-25-17(20-13)21-16(22)9-1-4-14-15(5-9)24-8-23-14/h1-7H,8H2,(H,20,21,22)
InChIKeyQWMSEUFKTPEXSF-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568131
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24569739
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CID 1222040) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is QWMSEUFKTPEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O3S/c18-10-2-3-11(12(19)6-10)13-7-25-17(20-13)21-16(22)9-1-4-14-15(5-9)24-8-23-14/h1-7H,8H2,(H,20,21,22).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1222040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).