3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide

C18H15N7O2S3 — CID 149488890

IUPAC3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide
SMILESCOc1ccc(Sc2ccc(SC3=NN=CC3)nc2C(=O)Nc2nc(C)ns2)cn1
InChIInChI=1S/C18H15N7O2S3/c1-10-21-18(30-25-10)23-17(26)16-12(28-11-3-5-13(27-2)19-9-11)4-6-14(22-16)29-15-7-8-20-24-15/h3-6,8-9H,7H2,1-2H3,(H,21,23,25,26)
InChIKeyZESCYSDJTISJMT-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.93
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide

3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 149488890) has the molecular formula C18H15N7O2S3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide
PubChem CID149488890
Molecular FormulaC18H15N7O2S3
Molecular Weight457.57 g/mol
Exact Mass457.04
IUPAC Name3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide
SMILESCOc1ccc(Sc2ccc(SC3=NN=CC3)nc2C(=O)Nc2nc(C)ns2)cn1
InChIInChI=1S/C18H15N7O2S3/c1-10-21-18(30-25-10)23-17(26)16-12(28-11-3-5-13(27-2)19-9-11)4-6-14(22-16)29-15-7-8-20-24-15/h3-6,8-9H,7H2,1-2H3,(H,21,23,25,26)
InChIKeyZESCYSDJTISJMT-UHFFFAOYSA-N
XLogP3.93
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide with MolForge

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Related Compounds

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
3-[4-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 25067003
3-[4-[2-[(2R)-2-hydroxy-2-methylpyrrolidin-1-yl]ethoxy]phenyl]sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 25066797
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]sulfanylpyridine-2-carboxamide
CID 25066601
3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 11753956
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
ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate;ethyl 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate;3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
CID 157366502
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
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17455400
[6-[[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamoyl]-5-(4-methoxyphenyl)sulfanyl-2-pyridinyl] N'-methyl-N-(methylideneamino)carbamimidothioate
CID 142939873

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide (CID 149488890) is 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide is COc1ccc(Sc2ccc(SC3=NN=CC3)nc2C(=O)Nc2nc(C)ns2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is ZESCYSDJTISJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S3/c1-10-21-18(30-25-10)23-17(26)16-12(28-11-3-5-13(27-2)19-9-11)4-6-14(22-16)29-15-7-8-20-24-15/h3-6,8-9H,7H2,1-2H3,(H,21,23,25,26).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide?
3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(4H-pyrazol-3-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 149488890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).