N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H23N3S — CID 82751675

IUPACN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCC3CCCCC32)sc1CNC1CC1
InChIInChI=1S/C15H23N3S/c1-2-4-14-11(3-1)7-8-18(14)15-17-10-13(19-15)9-16-12-5-6-12/h10-12,14,16H,1-9H2
InChIKeyHQDODESSSRKSRN-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82751675) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82751675
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCC3CCCCC32)sc1CNC1CC1
InChIInChI=1S/C15H23N3S/c1-2-4-14-11(3-1)7-8-18(14)15-17-10-13(19-15)9-16-12-5-6-12/h10-12,14,16H,1-9H2
InChIKeyHQDODESSSRKSRN-UHFFFAOYSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82751675) is N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is c1nc(N2CCC3CCCCC32)sc1CNC1CC1.
What is the InChIKey of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HQDODESSSRKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-2-4-14-11(3-1)7-8-18(14)15-17-10-13(19-15)9-16-12-5-6-12/h10-12,14,16H,1-9H2.
What are the key properties of N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 277.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82751675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).