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

C15H17N3OS — CID 80573059

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-10-14(20-9-18-10)8-17-15(19)6-11-7-16-13-5-3-2-4-12(11)13/h2-5,9,11,16H,6-8H2,1H3,(H,17,19)
InChIKeyROXGAKBBIKKORV-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.67
Rot. Bonds4

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

2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 80573059) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID80573059
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-10-14(20-9-18-10)8-17-15(19)6-11-7-16-13-5-3-2-4-12(11)13/h2-5,9,11,16H,6-8H2,1H3,(H,17,19)
InChIKeyROXGAKBBIKKORV-UHFFFAOYSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396930
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 80573059) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncsc1CNC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is ROXGAKBBIKKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-14(20-9-18-10)8-17-15(19)6-11-7-16-13-5-3-2-4-12(11)13/h2-5,9,11,16H,6-8H2,1H3,(H,17,19).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 287.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 80573059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).