3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C14H15N3OS — CID 110330168

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESNc1nc(CCC(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c15-14-16-11(9-19-14)5-6-13(18)17-8-7-10-3-1-2-4-12(10)17/h1-4,9H,5-8H2,(H2,15,16)
InChIKeyOQVZERADUIFCAK-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.25
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 110330168) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID110330168
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESNc1nc(CCC(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c15-14-16-11(9-19-14)5-6-13(18)17-8-7-10-3-1-2-4-12(10)17/h1-4,9H,5-8H2,(H2,15,16)
InChIKeyOQVZERADUIFCAK-UHFFFAOYSA-N
XLogP2.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
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2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
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1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
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1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
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4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
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3-(2-amino-1,3-thiazol-4-yl)-1-[(4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepan-1-yl]propan-1-one
CID 124955283
2-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
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1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 110330168) is 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is Nc1nc(CCC(=O)N2CCc3ccccc32)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is OQVZERADUIFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14-16-11(9-19-14)5-6-13(18)17-8-7-10-3-1-2-4-12(10)17/h1-4,9H,5-8H2,(H2,15,16).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 273.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 110330168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).