(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C19H21N3O2S — CID 125445195

IUPAC(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(=O)c1cn([C@@H](C)C(=O)NCCc2nc(C)cs2)c2ccccc12
InChIInChI=1S/C19H21N3O2S/c1-12-11-25-18(21-12)8-9-20-19(24)13(2)22-10-16(14(3)23)15-6-4-5-7-17(15)22/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyBYRHDOQYBUOYMJ-ZDUSSCGKSA-N
MW355.46 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 125445195) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID125445195
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(=O)c1cn([C@@H](C)C(=O)NCCc2nc(C)cs2)c2ccccc12
InChIInChI=1S/C19H21N3O2S/c1-12-11-25-18(21-12)8-9-20-19(24)13(2)22-10-16(14(3)23)15-6-4-5-7-17(15)22/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyBYRHDOQYBUOYMJ-ZDUSSCGKSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 131912053
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2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63240236
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61381420
ethyl 4-[[(2R)-2-(3-acetylindol-1-yl)propanoyl]amino]benzoate
CID 126206528
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 125445195) is (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is CC(=O)c1cn([C@@H](C)C(=O)NCCc2nc(C)cs2)c2ccccc12.
What is the InChIKey of (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is BYRHDOQYBUOYMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-11-25-18(21-12)8-9-20-19(24)13(2)22-10-16(14(3)23)15-6-4-5-7-17(15)22/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 125445195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).