N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C19H16N6O3S2 — CID 55722702

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C19H16N6O3S2/c1-25-11-20-24-19(25)30-10-16(26)21-13-5-2-4-12(8-13)17(27)23-18-22-14(9-29-18)15-6-3-7-28-15/h2-9,11H,10H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyFLBHSSYVEARICJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.51
Rot. Bonds7

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 55722702) has the molecular formula C19H16N6O3S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID55722702
Molecular FormulaC19H16N6O3S2
Molecular Weight440.51 g/mol
Exact Mass440.07
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C19H16N6O3S2/c1-25-11-20-24-19(25)30-10-16(26)21-13-5-2-4-12(8-13)17(27)23-18-22-14(9-29-18)15-6-3-7-28-15/h2-9,11H,10H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyFLBHSSYVEARICJ-UHFFFAOYSA-N
XLogP3.51
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-methylbutan-2-yl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 51153959
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CID 55382710
N-benzhydryl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
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CID 2385860
N-(2-hydroxy-4-methylphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 46520801
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N-(2-fluoro-5-methylphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 41172321
N-(3-anilinopropyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 56586412
N-(2-ethoxyphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42989411
N-[1-(3,4-dichlorophenyl)ethyl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55335591
N-[(3-methylphenyl)methyl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 38294343
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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 55722702) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is Cn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is FLBHSSYVEARICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S2/c1-25-11-20-24-19(25)30-10-16(26)21-13-5-2-4-12(8-13)17(27)23-18-22-14(9-29-18)15-6-3-7-28-15/h2-9,11H,10H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 440.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 55722702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).