2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H17N5OS — CID 3724946

IUPAC2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ccccc1)C(c1nc(-c2ccccc2)cs1)n1nnc2ccccc21
InChIInChI=1S/C23H17N5OS/c29-22(24-17-11-5-2-6-12-17)21(28-20-14-8-7-13-18(20)26-27-28)23-25-19(15-30-23)16-9-3-1-4-10-16/h1-15,21H,(H,24,29)
InChIKeyUAVSUJIWVOKQDO-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.78
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3724946) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3724946
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ccccc1)C(c1nc(-c2ccccc2)cs1)n1nnc2ccccc21
InChIInChI=1S/C23H17N5OS/c29-22(24-17-11-5-2-6-12-17)21(28-20-14-8-7-13-18(20)26-27-28)23-25-19(15-30-23)16-9-3-1-4-10-16/h1-15,21H,(H,24,29)
InChIKeyUAVSUJIWVOKQDO-UHFFFAOYSA-N
XLogP4.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 57004238
(2R)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070616
(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070615
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-N-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 17037518
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-(4-chlorophenyl)-N-(4-methoxyphenyl)acetamide
CID 5221079
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]propanamide
CID 1497894
N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-3-methylbutanamide
CID 4250778
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 99649740
(2R)-2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxo-N-phenylpentanethioamide;hydrate
CID 139067782
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
2-[[2-(benzotriazol-1-yl)acetyl]-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]amino]-N-[4-(dimethylamino)phenyl]butanamide
CID 43820359

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3724946) is 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Nc1ccccc1)C(c1nc(-c2ccccc2)cs1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UAVSUJIWVOKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-22(24-17-11-5-2-6-12-17)21(28-20-14-8-7-13-18(20)26-27-28)23-25-19(15-30-23)16-9-3-1-4-10-16/h1-15,21H,(H,24,29).
What are the key properties of 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 411.49 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3724946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).