N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C22H16F2N4O2S2 — CID 135952007

IUPACN-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C22H16F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-10H,11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyOGWDIPYQBLASNU-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.88
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135952007) has the molecular formula C22H16F2N4O2S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135952007
Molecular FormulaC22H16F2N4O2S2
Molecular Weight470.53 g/mol
Exact Mass470.07
IUPAC NameN-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C22H16F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-10H,11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyOGWDIPYQBLASNU-UHFFFAOYSA-N
XLogP4.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906
N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 2554360
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2645998
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 16019346
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24979766
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71600845

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 135952007) is N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is Cc1nc(-c2ccccc2)sc1-c1cc(=O)[nH]c(SCC(=O)Nc2cc(F)ccc2F)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is OGWDIPYQBLASNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-10H,11H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135952007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).