N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

C23H24N4OS — CID 9453799

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCc2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4OS/c1-16-21(29-23(27-16)25-13-11-17-7-3-2-4-8-17)22(28)24-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyASESIXNXCYOHFE-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.56
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 9453799) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
PubChem CID9453799
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCc2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4OS/c1-16-21(29-23(27-16)25-13-11-17-7-3-2-4-8-17)22(28)24-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyASESIXNXCYOHFE-UHFFFAOYSA-N
XLogP4.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897543
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-[(2-chlorophenyl)methyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365403
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110996961
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772106
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (CID 9453799) is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NCCc2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ASESIXNXCYOHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-16-21(29-23(27-16)25-13-11-17-7-3-2-4-8-17)22(28)24-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9453799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).