N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

C22H20N4OS2 — CID 1300179

IUPACN-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCCc2ccccc2)n1
InChIInChI=1S/C22H20N4OS2/c1-15-19(29-22(24-15)26-20(27)17-10-6-3-7-11-17)18-14-28-21(25-18)23-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyPPQKDRLIGDVOGR-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.48
Rot. Bonds7

About N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 1300179) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID1300179
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC NameN-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCCc2ccccc2)n1
InChIInChI=1S/C22H20N4OS2/c1-15-19(29-22(24-15)26-20(27)17-10-6-3-7-11-17)18-14-28-21(25-18)23-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyPPQKDRLIGDVOGR-UHFFFAOYSA-N
XLogP5.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (CID 1300179) is N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCCc2ccccc2)n1.
What is the InChIKey of N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PPQKDRLIGDVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-15-19(29-22(24-15)26-20(27)17-10-6-3-7-11-17)18-14-28-21(25-18)23-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1300179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).