N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C17H19N3OS — CID 74246486

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3OS/c1-12-16(22-11-20-12)6-7-17(21)18-9-8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-11,19H,6-9H2,1H3,(H,18,21)
InChIKeyLEXKZPNBHJOAQT-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 74246486) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID74246486
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3OS/c1-12-16(22-11-20-12)6-7-17(21)18-9-8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-11,19H,6-9H2,1H3,(H,18,21)
InChIKeyLEXKZPNBHJOAQT-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679216
N-[2-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110996961
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 28736534
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110412313
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 74246486) is N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is LEXKZPNBHJOAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-16(22-11-20-12)6-7-17(21)18-9-8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-11,19H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 313.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 74246486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).