N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide

C20H17N5OS — CID 16648816

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C20H17N5OS/c1-14-12-22-24-25(14)17-9-7-16(8-10-17)19(26)23-20-21-13-18(27-20)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,23,26)
InChIKeyPHNIDIICXVAKTL-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.88
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide

N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide (PubChem CID 16648816) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide
PubChem CID16648816
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C20H17N5OS/c1-14-12-22-24-25(14)17-9-7-16(8-10-17)19(26)23-20-21-13-18(27-20)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,23,26)
InChIKeyPHNIDIICXVAKTL-UHFFFAOYSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide (CID 16648816) is N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide is Cc1cnnn1-c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide?
The InChIKey is PHNIDIICXVAKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-14-12-22-24-25(14)17-9-7-16(8-10-17)19(26)23-20-21-13-18(27-20)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,23,26).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide has a molecular weight of 375.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-4-(5-methyltriazol-1-yl)benzamide is sourced from PubChem (CID 16648816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).