2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C18H13F2N3O2S2 — CID 134030412

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C18H13F2N3O2S2/c19-10-5-6-13(20)12(7-10)14-8-27-18(22-14)23-17(25)11-3-1-2-4-15(11)26-9-16(21)24/h1-8H,9H2,(H2,21,24)(H,22,23,25)
InChIKeyNZQAMNKHEBSUEM-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 134030412) has the molecular formula C18H13F2N3O2S2 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID134030412
Molecular FormulaC18H13F2N3O2S2
Molecular Weight405.45 g/mol
Exact Mass405.04
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C18H13F2N3O2S2/c19-10-5-6-13(20)12(7-10)14-8-27-18(22-14)23-17(25)11-3-1-2-4-15(11)26-9-16(21)24/h1-8H,9H2,(H2,21,24)(H,22,23,25)
InChIKeyNZQAMNKHEBSUEM-UHFFFAOYSA-N
XLogP3.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26207842
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888834
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16529731
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 134030412) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NZQAMNKHEBSUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S2/c19-10-5-6-13(20)12(7-10)14-8-27-18(22-14)23-17(25)11-3-1-2-4-15(11)26-9-16(21)24/h1-8H,9H2,(H2,21,24)(H,22,23,25).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 134030412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).