N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C23H20N4O2S — CID 78886729

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc21
InChIInChI=1S/C23H20N4O2S/c1-2-21(28)27-10-9-17-12-18(7-8-20(17)27)22(29)26-23-25-14-19(30-23)11-15-3-5-16(13-24)6-4-15/h3-8,12,14H,2,9-11H2,1H3,(H,25,26,29)
InChIKeyLAZPIEHQOGKXFD-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.16
Rot. Bonds5

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 78886729) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID78886729
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc21
InChIInChI=1S/C23H20N4O2S/c1-2-21(28)27-10-9-17-12-18(7-8-20(17)27)22(29)26-23-25-14-19(30-23)11-15-3-5-16(13-24)6-4-15/h3-8,12,14H,2,9-11H2,1H3,(H,25,26,29)
InChIKeyLAZPIEHQOGKXFD-UHFFFAOYSA-N
XLogP4.16
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 78886729) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc21.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is LAZPIEHQOGKXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-21(28)27-10-9-17-12-18(7-8-20(17)27)22(29)26-23-25-14-19(30-23)11-15-3-5-16(13-24)6-4-15/h3-8,12,14H,2,9-11H2,1H3,(H,25,26,29).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 78886729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).