5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide

C20H22N6O2S — CID 58816387

IUPAC5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
SMILESCN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)CC1
InChIInChI=1S/C20H22N6O2S/c1-25-10-8-15(9-11-25)24-20(28)18-7-6-17(29-18)19(27)23-14-2-4-16(5-3-14)26-13-21-12-22-26/h2-7,12-13,15H,8-11H2,1H3,(H,23,27)(H,24,28)
InChIKeyCXGUHDVMEHAYQC-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.41
Rot. Bonds5

About 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide

5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide (PubChem CID 58816387) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
PubChem CID58816387
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
SMILESCN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)CC1
InChIInChI=1S/C20H22N6O2S/c1-25-10-8-15(9-11-25)24-20(28)18-7-6-17(29-18)19(27)23-14-2-4-16(5-3-14)26-13-21-12-22-26/h2-7,12-13,15H,8-11H2,1H3,(H,23,27)(H,24,28)
InChIKeyCXGUHDVMEHAYQC-UHFFFAOYSA-N
XLogP2.41
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(2,3-dihydro-1H-inden-2-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816238
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 58816349
2-N-(4-fluoro-3-methylphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816344
2-N-(3-chloro-4-methoxyphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816348
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide (CID 58816387) is 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide is CN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)CC1.
What is the InChIKey of 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
The InChIKey is CXGUHDVMEHAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-25-10-8-15(9-11-25)24-20(28)18-7-6-17(29-18)19(27)23-14-2-4-16(5-3-14)26-13-21-12-22-26/h2-7,12-13,15H,8-11H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide?
5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 58816387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).