2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide

C26H22N4O2S2 — CID 17325456

IUPAC2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1nc2cc3sc(CNC(=O)Cc4ccccc4)nc3cc2s1
InChIInChI=1S/C26H22N4O2S2/c31-23(11-17-7-3-1-4-8-17)27-15-25-29-19-13-22-20(14-21(19)33-25)30-26(34-22)16-28-24(32)12-18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,27,31)(H,28,32)
InChIKeyTZKPQDZRYPYCMA-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.62
Rot. Bonds8

About 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide

2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide (PubChem CID 17325456) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
PubChem CID17325456
Molecular FormulaC26H22N4O2S2
Molecular Weight486.62 g/mol
Exact Mass486.12
IUPAC Name2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1nc2cc3sc(CNC(=O)Cc4ccccc4)nc3cc2s1
InChIInChI=1S/C26H22N4O2S2/c31-23(11-17-7-3-1-4-8-17)27-15-25-29-19-13-22-20(14-21(19)33-25)30-26(34-22)16-28-24(32)12-18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,27,31)(H,28,32)
InChIKeyTZKPQDZRYPYCMA-UHFFFAOYSA-N
XLogP4.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 18151941
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043
N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
CID 1069055
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
4-[[[2-(5-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 58470399
3-[[[2-(5-fluoro-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 143975868
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24543366
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58470275
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide?
The IUPAC name of 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide (CID 17325456) is 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide is O=C(Cc1ccccc1)NCc1nc2cc3sc(CNC(=O)Cc4ccccc4)nc3cc2s1.
What is the InChIKey of 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide?
The InChIKey is TZKPQDZRYPYCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c31-23(11-17-7-3-1-4-8-17)27-15-25-29-19-13-22-20(14-21(19)33-25)30-26(34-22)16-28-24(32)12-18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,27,31)(H,28,32).
What are the key properties of 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide?
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide has a molecular weight of 486.62 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide is sourced from PubChem (CID 17325456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).