N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide

C16H14FN5OS2 — CID 6487652

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C16H14FN5OS2/c1-2-14-21-22-16(25-14)20-13(23)9-24-15-18-8-7-12(19-15)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,20,22,23)
InChIKeyMOKVHPMHBPTUKD-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.43
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 6487652) has the molecular formula C16H14FN5OS2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID6487652
Molecular FormulaC16H14FN5OS2
Molecular Weight375.45 g/mol
Exact Mass375.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C16H14FN5OS2/c1-2-14-21-22-16(25-14)20-13(23)9-24-15-18-8-7-12(19-15)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,20,22,23)
InChIKeyMOKVHPMHBPTUKD-UHFFFAOYSA-N
XLogP3.43
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1265808
N-(4-Fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-YL)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-YL}sulfanyl)acetamide
CID 5307605
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
1-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylthiourea
CID 2815107
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207416
2-[4-(2-Ethyl-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 646117
2-(4-Butyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648616
N-(4-Methyl-thiazol-2-yl)-2-(4-propyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 653401
2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 931808
2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 934277

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide (CID 6487652) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide is CCc1nnc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is MOKVHPMHBPTUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS2/c1-2-14-21-22-16(25-14)20-13(23)9-24-15-18-8-7-12(19-15)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,20,22,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 375.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 6487652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).