2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone

C18H16N4OS — CID 71876414

IUPAC2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2cscn2)nc1)N1CCc2ccccc21
InChIInChI=1S/C18H16N4OS/c23-18(22-8-7-13-3-1-2-4-16(13)22)14-5-6-17(19-9-14)20-10-15-11-24-12-21-15/h1-6,9,11-12H,7-8,10H2,(H,19,20)
InChIKeyXSDMKSIVOFDWGN-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.35
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 71876414) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
PubChem CID71876414
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2cscn2)nc1)N1CCc2ccccc21
InChIInChI=1S/C18H16N4OS/c23-18(22-8-7-13-3-1-2-4-16(13)22)14-5-6-17(19-9-14)20-10-15-11-24-12-21-15/h1-6,9,11-12H,7-8,10H2,(H,19,20)
InChIKeyXSDMKSIVOFDWGN-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
CID 109159706
[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109157414
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone (CID 71876414) is 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone is O=C(c1ccc(NCc2cscn2)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is XSDMKSIVOFDWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-18(22-8-7-13-3-1-2-4-16(13)22)14-5-6-17(19-9-14)20-10-15-11-24-12-21-15/h1-6,9,11-12H,7-8,10H2,(H,19,20).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 336.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 71876414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).