[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine

C15H17N3S — CID 63916745

IUPAC[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCc3ccccc32)nc1C1CC1
InChIInChI=1S/C15H17N3S/c16-9-13-14(11-5-6-11)17-15(19-13)18-8-7-10-3-1-2-4-12(10)18/h1-4,11H,5-9,16H2
InChIKeyUDFJXOYKJCKVFI-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.17
Rot. Bonds3

About [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63916745) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63916745
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCc3ccccc32)nc1C1CC1
InChIInChI=1S/C15H17N3S/c16-9-13-14(11-5-6-11)17-15(19-13)18-8-7-10-3-1-2-4-12(10)18/h1-4,11H,5-9,16H2
InChIKeyUDFJXOYKJCKVFI-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63916745) is [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine is NCc1sc(N2CCc3ccccc32)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is UDFJXOYKJCKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c16-9-13-14(11-5-6-11)17-15(19-13)18-8-7-10-3-1-2-4-12(10)18/h1-4,11H,5-9,16H2.
What are the key properties of [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63916745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).