N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H13F2N5OS2 — CID 16529731

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H13F2N5OS2/c20-12-6-7-15(21)14(8-12)16-9-28-18(23-16)24-17(27)10-29-19-25-22-11-26(19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,24,27)
InChIKeySIGRCQXZIYEQJN-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.40
Rot. Bonds6

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 16529731) has the molecular formula C19H13F2N5OS2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID16529731
Molecular FormulaC19H13F2N5OS2
Molecular Weight429.48 g/mol
Exact Mass429.05
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H13F2N5OS2/c20-12-6-7-15(21)14(8-12)16-9-28-18(23-16)24-17(27)10-29-19-25-22-11-26(19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,24,27)
InChIKeySIGRCQXZIYEQJN-UHFFFAOYSA-N
XLogP4.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-([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-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787341
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787049
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630384
ethyl 2-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8787099
N-(2,3,4,5,6-pentafluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2358275
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460925
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112786993

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 16529731) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SIGRCQXZIYEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5OS2/c20-12-6-7-15(21)14(8-12)16-9-28-18(23-16)24-17(27)10-29-19-25-22-11-26(19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,23,24,27).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 16529731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).