3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C18H14FN7OS3 — CID 11753956

IUPAC3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(Sc3nnnn3C)ccc2Sc2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN7OS3/c1-10-9-28-17(20-10)22-16(27)15-13(29-12-5-3-11(19)4-6-12)7-8-14(21-15)30-18-23-24-25-26(18)2/h3-9H,1-2H3,(H,20,22,27)
InChIKeyUPRIXVITLOJLCJ-UHFFFAOYSA-N
MW459.56 g/mol
LogP4.06
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 11753956) has the molecular formula C18H14FN7OS3 and a molecular weight of 459.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID11753956
Molecular FormulaC18H14FN7OS3
Molecular Weight459.56 g/mol
Exact Mass459.04
IUPAC Name3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(Sc3nnnn3C)ccc2Sc2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN7OS3/c1-10-9-28-17(20-10)22-16(27)15-13(29-12-5-3-11(19)4-6-12)7-8-14(21-15)30-18-23-24-25-26(18)2/h3-9H,1-2H3,(H,20,22,27)
InChIKeyUPRIXVITLOJLCJ-UHFFFAOYSA-N
XLogP4.06
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 11753956) is 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1csc(NC(=O)c2nc(Sc3nnnn3C)ccc2Sc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UPRIXVITLOJLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7OS3/c1-10-9-28-17(20-10)22-16(27)15-13(29-12-5-3-11(19)4-6-12)7-8-14(21-15)30-18-23-24-25-26(18)2/h3-9H,1-2H3,(H,20,22,27).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 459.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11753956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).