N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide

C21H19N7O2S — CID 55434284

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)cc1
InChIInChI=1S/C21H19N7O2S/c1-13(23-14(2)29)15-6-8-16(9-7-15)19-11-31-21(24-19)25-20(30)17-4-3-5-18(10-17)28-12-22-26-27-28/h3-13H,1-2H3,(H,23,29)(H,24,25,30)
InChIKeyLEQNJPSNWLTMGZ-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.24
Rot. Bonds6

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

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 55434284) has the molecular formula C21H19N7O2S and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID55434284
Molecular FormulaC21H19N7O2S
Molecular Weight433.50 g/mol
Exact Mass433.13
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)cc1
InChIInChI=1S/C21H19N7O2S/c1-13(23-14(2)29)15-6-8-16(9-7-15)19-11-31-21(24-19)25-20(30)17-4-3-5-18(10-17)28-12-22-26-27-28/h3-13H,1-2H3,(H,23,29)(H,24,25,30)
InChIKeyLEQNJPSNWLTMGZ-UHFFFAOYSA-N
XLogP3.24
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434173
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55434408
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47082768
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55468361
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 46632717
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (CID 55434284) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is LEQNJPSNWLTMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2S/c1-13(23-14(2)29)15-6-8-16(9-7-15)19-11-31-21(24-19)25-20(30)17-4-3-5-18(10-17)28-12-22-26-27-28/h3-13H,1-2H3,(H,23,29)(H,24,25,30).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 433.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55434284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).