N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide

C14H10FN3OS3 — CID 1267745

IUPACN-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1cccs1
InChIInChI=1S/C14H10FN3OS3/c15-10-5-3-9(4-6-10)8-21-14-17-13(22-18-14)16-12(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,17,18,19)
InChIKeyQWYVJCOBWYHCQQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.28
Rot. Bonds5

About N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide

N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide (PubChem CID 1267745) has the molecular formula C14H10FN3OS3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide
PubChem CID1267745
Molecular FormulaC14H10FN3OS3
Molecular Weight351.45 g/mol
Exact Mass351.00
IUPAC NameN-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1cccs1
InChIInChI=1S/C14H10FN3OS3/c15-10-5-3-9(4-6-10)8-21-14-17-13(22-18-14)16-12(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,17,18,19)
InChIKeyQWYVJCOBWYHCQQ-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide (CID 1267745) is N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide is O=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1cccs1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is QWYVJCOBWYHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS3/c15-10-5-3-9(4-6-10)8-21-14-17-13(22-18-14)16-12(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,17,18,19).
What are the key properties of N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide?
N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).