N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C19H23N3OS — CID 70774748

IUPACN-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NC(C)Cc3cncs3)c2c1
InChIInChI=1S/C19H23N3OS/c1-11-5-12(2)19-17(6-11)16(14(4)22-19)8-18(23)21-13(3)7-15-9-20-10-24-15/h5-6,9-10,13,22H,7-8H2,1-4H3,(H,21,23)
InChIKeyZCTKMZSPVPMJQQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 70774748) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID70774748
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NC(C)Cc3cncs3)c2c1
InChIInChI=1S/C19H23N3OS/c1-11-5-12(2)19-17(6-11)16(14(4)22-19)8-18(23)21-13(3)7-15-9-20-10-24-15/h5-6,9-10,13,22H,7-8H2,1-4H3,(H,21,23)
InChIKeyZCTKMZSPVPMJQQ-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 97152669
N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70739178
2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
CID 97130798
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774373
N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 97113138
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 70765117
(2S)-N-(1-oxopropan-2-yl)-2-[(2-phenylacetyl)amino]-3-(1,3-thiazol-5-yl)propanamide
CID 138480844
1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641881
2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-pyrrolidin-1-ylbutan-2-yl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 118747336
1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115732227

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 70774748) is N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2[nH]c(C)c(CC(=O)NC(C)Cc3cncs3)c2c1.
What is the InChIKey of N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is ZCTKMZSPVPMJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-11-5-12(2)19-17(6-11)16(14(4)22-19)8-18(23)21-13(3)7-15-9-20-10-24-15/h5-6,9-10,13,22H,7-8H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70774748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).