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

C23H23N5O2S — CID 86945540

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H23N5O2S/c1-14(23-28-21(13-31-23)16-6-5-9-24-11-16)26-22(30)20(27-15(2)29)10-17-12-25-19-8-4-3-7-18(17)19/h3-9,11-14,20,25H,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyKSBTYCHYPZYMEV-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.61
Rot. Bonds7

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

2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 86945540) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID86945540
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H23N5O2S/c1-14(23-28-21(13-31-23)16-6-5-9-24-11-16)26-22(30)20(27-15(2)29)10-17-12-25-19-8-4-3-7-18(17)19/h3-9,11-14,20,25H,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyKSBTYCHYPZYMEV-UHFFFAOYSA-N
XLogP3.61
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945465
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 55468200
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 51926679

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide (CID 86945540) is 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is KSBTYCHYPZYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14(23-28-21(13-31-23)16-6-5-9-24-11-16)26-22(30)20(27-15(2)29)10-17-12-25-19-8-4-3-7-18(17)19/h3-9,11-14,20,25H,10H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 433.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 86945540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).