3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C18H13FN6OS2 — CID 10364352

IUPAC3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C18H13FN6OS2/c19-13-4-1-11(2-5-13)9-12-3-6-14(28-18-21-10-22-25-18)23-15(12)16(26)24-17-20-7-8-27-17/h1-8,10H,9H2,(H,20,24,26)(H,21,22,25)
InChIKeyFVFHDFCMQMSZDM-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.79
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 10364352) has the molecular formula C18H13FN6OS2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID10364352
Molecular FormulaC18H13FN6OS2
Molecular Weight412.48 g/mol
Exact Mass412.06
IUPAC Name3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C18H13FN6OS2/c19-13-4-1-11(2-5-13)9-12-3-6-14(28-18-21-10-22-25-18)23-15(12)16(26)24-17-20-7-8-27-17/h1-8,10H,9H2,(H,20,24,26)(H,21,22,25)
InChIKeyFVFHDFCMQMSZDM-UHFFFAOYSA-N
XLogP3.79
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10414095
3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092579
3-(6-methyl-1-oxidopyridin-1-ium-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092539
3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol
CID 142939854
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
2-[3-[[3-(4-fluorophenyl)sulfanyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 25166082
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 10478428
3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092617
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78778709
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 10364352) is 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is FVFHDFCMQMSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS2/c19-13-4-1-11(2-5-13)9-12-3-6-14(28-18-21-10-22-25-18)23-15(12)16(26)24-17-20-7-8-27-17/h1-8,10H,9H2,(H,20,24,26)(H,21,22,25).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 10364352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).