N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide

C19H16F2N2O3S — CID 2102472

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC
InChIInChI=1S/C19H16F2N2O3S/c1-25-16-6-3-11(7-17(16)26-2)8-18(24)23-19-22-15(10-27-19)12-4-5-13(20)14(21)9-12/h3-7,9-10H,8H2,1-2H3,(H,22,23,24)
InChIKeyMKNYUSUSHBPRFF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.29
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2102472) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID2102472
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC
InChIInChI=1S/C19H16F2N2O3S/c1-25-16-6-3-11(7-17(16)26-2)8-18(24)23-19-22-15(10-27-19)12-4-5-13(20)14(21)9-12/h3-7,9-10H,8H2,1-2H3,(H,22,23,24)
InChIKeyMKNYUSUSHBPRFF-UHFFFAOYSA-N
XLogP4.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide (CID 2102472) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is MKNYUSUSHBPRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-25-16-6-3-11(7-17(16)26-2)8-18(24)23-19-22-15(10-27-19)12-4-5-13(20)14(21)9-12/h3-7,9-10H,8H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2102472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).