N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide

C19H15N5OS3 — CID 653904

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C
InChIInChI=1S/C19H15N5OS3/c1-11-12(2)28-17(14(11)8-20)21-16(25)10-27-19-23-22-18-24(19)15(9-26-18)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,21,25)
InChIKeyQZBSJZWPFXECCH-UHFFFAOYSA-N
MW425.56 g/mol
LogP4.74
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (PubChem CID 653904) has the molecular formula C19H15N5OS3 and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
PubChem CID653904
Molecular FormulaC19H15N5OS3
Molecular Weight425.56 g/mol
Exact Mass425.04
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C
InChIInChI=1S/C19H15N5OS3/c1-11-12(2)28-17(14(11)8-20)21-16(25)10-27-19-23-22-18-24(19)15(9-26-18)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,21,25)
InChIKeyQZBSJZWPFXECCH-UHFFFAOYSA-N
XLogP4.74
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (CID 653904) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is Cc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QZBSJZWPFXECCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS3/c1-11-12(2)28-17(14(11)8-20)21-16(25)10-27-19-23-22-18-24(19)15(9-26-18)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,21,25).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide has a molecular weight of 425.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 653904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).