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

C16H17N3O2S — CID 98432230

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2C(=O)Nc3ccccc32)cs1
InChIInChI=1S/C16H17N3O2S/c1-10-18-11(9-22-10)6-7-17-15(20)8-13-12-4-2-3-5-14(12)19-16(13)21/h2-5,9,13H,6-8H2,1H3,(H,17,20)(H,19,21)/t13-/m1/s1
InChIKeyDZZKLUFFYUAYNK-CYBMUJFWSA-N
MW315.40 g/mol
LogP2.24
Rot. Bonds5

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 98432230) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID98432230
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2C(=O)Nc3ccccc32)cs1
InChIInChI=1S/C16H17N3O2S/c1-10-18-11(9-22-10)6-7-17-15(20)8-13-12-4-2-3-5-14(12)19-16(13)21/h2-5,9,13H,6-8H2,1H3,(H,17,20)(H,19,21)/t13-/m1/s1
InChIKeyDZZKLUFFYUAYNK-CYBMUJFWSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-1-ylethyl)-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 52536360
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
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N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-[(4-fluorophenyl)methyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694604
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
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CID 38162050
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111697545
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 47078967
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
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N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 98432230) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is Cc1nc(CCNC(=O)C[C@H]2C(=O)Nc3ccccc32)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is DZZKLUFFYUAYNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-18-11(9-22-10)6-7-17-15(20)8-13-12-4-2-3-5-14(12)19-16(13)21/h2-5,9,13H,6-8H2,1H3,(H,17,20)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 98432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).