2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide

C22H20N6OS — CID 174530752

IUPAC2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccc2)c(-c2nnn(C=Cc3ccccc3)n2)s1
InChIInChI=1S/C22H20N6OS/c1-15(2)21(29)24-22-23-18(17-11-7-4-8-12-17)19(30-22)20-25-27-28(26-20)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3,(H,23,24,29)
InChIKeyFTGDKLPNJHJUCF-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.69
Rot. Bonds6

About 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 174530752) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID174530752
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccc2)c(-c2nnn(C=Cc3ccccc3)n2)s1
InChIInChI=1S/C22H20N6OS/c1-15(2)21(29)24-22-23-18(17-11-7-4-8-12-17)19(30-22)20-25-27-28(26-20)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3,(H,23,24,29)
InChIKeyFTGDKLPNJHJUCF-UHFFFAOYSA-N
XLogP4.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide (CID 174530752) is 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(-c2ccccc2)c(-c2nnn(C=Cc3ccccc3)n2)s1.
What is the InChIKey of 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is FTGDKLPNJHJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c1-15(2)21(29)24-22-23-18(17-11-7-4-8-12-17)19(30-22)20-25-27-28(26-20)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3,(H,23,24,29).
What are the key properties of 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 416.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 174530752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).