[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

C17H21N3OS — CID 3746469

IUPAC[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCC(N)c1nc(C(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C17H21N3OS/c1-2-3-7-13(18)16-19-14(11-22-16)17(21)20-10-9-12-6-4-5-8-15(12)20/h4-6,8,11,13H,2-3,7,9-10,18H2,1H3
InChIKeyLRKDRXJNRRDBDO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.54
Rot. Bonds5

About [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone

[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 3746469) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID3746469
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCC(N)c1nc(C(=O)N2CCc3ccccc32)cs1
InChIInChI=1S/C17H21N3OS/c1-2-3-7-13(18)16-19-14(11-22-16)17(21)20-10-9-12-6-4-5-8-15(12)20/h4-6,8,11,13H,2-3,7,9-10,18H2,1H3
InChIKeyLRKDRXJNRRDBDO-UHFFFAOYSA-N
XLogP3.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
CID 3775706
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320
2-ethylhexyl 2,3-dihydroindole-1-carboxylate
CID 54416259
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 110856964
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone
CID 120632945
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66381388
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 3746469) is [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is CCCCC(N)c1nc(C(=O)N2CCc3ccccc32)cs1.
What is the InChIKey of [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is LRKDRXJNRRDBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-3-7-13(18)16-19-14(11-22-16)17(21)20-10-9-12-6-4-5-8-15(12)20/h4-6,8,11,13H,2-3,7,9-10,18H2,1H3.
What are the key properties of [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3746469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).