N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide

C17H13N5OS — CID 162421443

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N5OS/c23-16(19-17-18-13-8-4-5-9-15(13)24-17)11-22-10-14(20-21-22)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19,23)
InChIKeyPTIJDWFIBCXZPR-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.19
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 162421443) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID162421443
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N5OS/c23-16(19-17-18-13-8-4-5-9-15(13)24-17)11-22-10-14(20-21-22)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19,23)
InChIKeyPTIJDWFIBCXZPR-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)triazol-1-yl]acetamide
CID 155528498
1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62061222
2-[4-(1,3-benzothiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290603
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419811
3-[1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]triazol-4-yl]-6-hydroxy-1-methyl-2-phenylindole-5-carboxylic acid
CID 45378927
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 1256176
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2197373
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide (CID 162421443) is N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide is O=C(Cn1cc(-c2ccccc2)nn1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is PTIJDWFIBCXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-16(19-17-18-13-8-4-5-9-15(13)24-17)11-22-10-14(20-21-22)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 162421443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).