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

C19H18FN3O3S — CID 27377850

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C19H18FN3O3S/c1-25-16-8-7-14(9-17(16)26-2)21-18(24)10-15-11-27-19(23-15)22-13-5-3-12(20)4-6-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKGGUTQUJBCAJNK-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.22
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27377850) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27377850
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C19H18FN3O3S/c1-25-16-8-7-14(9-17(16)26-2)21-18(24)10-15-11-27-19(23-15)22-13-5-3-12(20)4-6-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKGGUTQUJBCAJNK-UHFFFAOYSA-N
XLogP4.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 27377850) is N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KGGUTQUJBCAJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-25-16-8-7-14(9-17(16)26-2)21-18(24)10-15-11-27-19(23-15)22-13-5-3-12(20)4-6-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).