2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 38304559

IUPAC2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cs1
InChIInChI=1S/C17H20N4O2S/c1-11(21-8-7-13-5-3-4-6-15(13)21)9-18-16(23)14-10-24-17(20-14)19-12(2)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m1/s1
InChIKeyDTQMFZJHGOLTJR-LLVKDONJSA-N
MW344.44 g/mol
LogP2.28
Rot. Bonds5

About 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 38304559) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID38304559
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cs1
InChIInChI=1S/C17H20N4O2S/c1-11(21-8-7-13-5-3-4-6-15(13)21)9-18-16(23)14-10-24-17(20-14)19-12(2)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m1/s1
InChIKeyDTQMFZJHGOLTJR-LLVKDONJSA-N
XLogP2.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
CID 95158420
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 47035342
2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 71896196
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 38304559) is 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cs1.
What is the InChIKey of 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTQMFZJHGOLTJR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(21-8-7-13-5-3-4-6-15(13)21)9-18-16(23)14-10-24-17(20-14)19-12(2)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m1/s1.
What are the key properties of 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).