N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C12H13FN4OS2 — CID 18199596

IUPACN-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)Nc2cc(F)ccc2C)s1
InChIInChI=1S/C12H13FN4OS2/c1-7-3-4-8(13)5-9(7)15-10(18)6-19-12-17-16-11(14-2)20-12/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyOFSCMYPFDKQOIK-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.76
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 18199596) has the molecular formula C12H13FN4OS2 and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID18199596
Molecular FormulaC12H13FN4OS2
Molecular Weight312.40 g/mol
Exact Mass312.05
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)Nc2cc(F)ccc2C)s1
InChIInChI=1S/C12H13FN4OS2/c1-7-3-4-8(13)5-9(7)15-10(18)6-19-12-17-16-11(14-2)20-12/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyOFSCMYPFDKQOIK-UHFFFAOYSA-N
XLogP2.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51236767
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1311263
methyl 3-[[2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylbenzoate
CID 27068035
N-(5-chloro-2-methylphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16532438
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27067460
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
N-(2,5-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798293
N-(5-chloro-2-methylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8869646
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4118004
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 866406

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 18199596) is N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CNc1nnc(SCC(=O)Nc2cc(F)ccc2C)s1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OFSCMYPFDKQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS2/c1-7-3-4-8(13)5-9(7)15-10(18)6-19-12-17-16-11(14-2)20-12/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18199596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).