N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H19FN4OS2 — CID 8869708

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1Nc1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H19FN4OS2/c1-13-5-3-4-6-16(13)21-18-22-23-19(27-18)26-12-17(25)24(2)11-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyDNMJTVDQTUVTPJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.48
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8869708) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8869708
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1Nc1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H19FN4OS2/c1-13-5-3-4-6-16(13)21-18-22-23-19(27-18)26-12-17(25)24(2)11-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyDNMJTVDQTUVTPJ-UHFFFAOYSA-N
XLogP4.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24519679
N-[(4-fluorophenyl)methyl]-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 51210264
N,N-dibenzyl-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23903003
3,3-dimethyl-1-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 2340804
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27067460
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7378324
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24519499
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4659794
N-methyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 7378195
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 34794483
1-(4-butylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7754059
N-ethyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 42045358

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8869708) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1ccccc1Nc1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DNMJTVDQTUVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-13-5-3-4-6-16(13)21-18-22-23-19(27-18)26-12-17(25)24(2)11-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8869708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).