N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C16H9FN4OS3 — CID 10452880

IUPACN-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Sc2ccnc3ccc(F)cc23)s1)c1cccs1
InChIInChI=1S/C16H9FN4OS3/c17-9-3-4-11-10(8-9)12(5-6-18-11)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)
InChIKeyLYTXNCDJXHSDEQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.69
Rot. Bonds4

About N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 10452880) has the molecular formula C16H9FN4OS3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID10452880
Molecular FormulaC16H9FN4OS3
Molecular Weight388.47 g/mol
Exact Mass387.99
IUPAC NameN-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Sc2ccnc3ccc(F)cc23)s1)c1cccs1
InChIInChI=1S/C16H9FN4OS3/c17-9-3-4-11-10(8-9)12(5-6-18-11)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)
InChIKeyLYTXNCDJXHSDEQ-UHFFFAOYSA-N
XLogP4.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 3321824
N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 10451870
N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,6-difluorobenzamide
CID 10478086
N-[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 7191282
N-[5-[(2,6-difluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 42805507
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 51199300
(3S)-3,5-dimethyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,2-oxazole-4-carboxamide
CID 142915658
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 40833327
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
N-[5-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 20939352

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 10452880) is N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(Sc2ccnc3ccc(F)cc23)s1)c1cccs1.
What is the InChIKey of N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is LYTXNCDJXHSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4OS3/c17-9-3-4-11-10(8-9)12(5-6-18-11)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22).
What are the key properties of N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10452880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).