N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

C20H17N5OS — CID 50975501

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(16-6-8-17(9-7-16)25-13-22-23-14-25)21-11-10-19-24-18(12-27-19)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,26)
InChIKeyGPRUYAUCGKSESG-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 50975501) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID50975501
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(16-6-8-17(9-7-16)25-13-22-23-14-25)21-11-10-19-24-18(12-27-19)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,26)
InChIKeyGPRUYAUCGKSESG-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 50975501) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is GPRUYAUCGKSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-20(16-6-8-17(9-7-16)25-13-22-23-14-25)21-11-10-19-24-18(12-27-19)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,26).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 375.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 50975501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).