N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide

C16H15FN4O2S — CID 30705211

IUPACN-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccco1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H15FN4O2S/c1-21(9-13-3-2-8-23-13)10-14-19-20-16(24-14)15(22)18-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyNLAAACFHULVQCK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.15
Rot. Bonds6

About N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 30705211) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID30705211
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccco1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H15FN4O2S/c1-21(9-13-3-2-8-23-13)10-14-19-20-16(24-14)15(22)18-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyNLAAACFHULVQCK-UHFFFAOYSA-N
XLogP3.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 653683
N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3243591
N-{[5-({[(3-Fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4074952
N-{[5-({[(4-Methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 5093537
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-(5-phenylaminomethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 654597
N-{[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}-2-furamide
CID 3237395
N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}-2-furamide
CID 3238326
N-{[5-({[(2-Fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 3528446
N-{[5-({[(2,4-Difluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4274938
N-{[5-({[(4-Fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4289380
N-({5-[(2-anilino-2-oxoethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)-2-furamide
CID 4456389
N-[[5-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 5211132

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 30705211) is N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide is CN(Cc1ccco1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NLAAACFHULVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21(9-13-3-2-8-23-13)10-14-19-20-16(24-14)15(22)18-12-6-4-11(17)5-7-12/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 30705211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).