3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C17H12F2N2O2S — CID 30435747

IUPAC3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)15-9-24-17(20-15)21-16(22)11-4-7-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22)
InChIKeyZQLBVKNIAFWZBC-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.35
Rot. Bonds4

About 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30435747) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID30435747
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)15-9-24-17(20-15)21-16(22)11-4-7-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22)
InChIKeyZQLBVKNIAFWZBC-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
4-amino-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 8747992
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 30435747) is 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZQLBVKNIAFWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)15-9-24-17(20-15)21-16(22)11-4-7-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22).
What are the key properties of 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30435747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).