2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

C17H19N3OS — CID 47078967

IUPAC2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cc2cn(C)c3ccccc23)cs1
InChIInChI=1S/C17H19N3OS/c1-12-19-14(11-22-12)7-8-18-17(21)9-13-10-20(2)16-6-4-3-5-15(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)
InChIKeyCAEHEEATESESIB-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.84
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 47078967) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID47078967
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)Cc2cn(C)c3ccccc23)cs1
InChIInChI=1S/C17H19N3OS/c1-12-19-14(11-22-12)7-8-18-17(21)9-13-10-20(2)16-6-4-3-5-15(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)
InChIKeyCAEHEEATESESIB-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
2-(1-methylindol-3-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602717
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 47078967) is 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)Cc2cn(C)c3ccccc23)cs1.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is CAEHEEATESESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-19-14(11-22-12)7-8-18-17(21)9-13-10-20(2)16-6-4-3-5-15(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 47078967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).