1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine

C19H25N3S — CID 45171415

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ncc(CNC2CCCN(C3Cc4ccccc4C3)C2)s1
InChIInChI=1S/C19H25N3S/c1-14-20-11-19(23-14)12-21-17-7-4-8-22(13-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,11,17-18,21H,4,7-10,12-13H2,1H3
InChIKeyOTXWYOHOYGJBGI-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine

1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 45171415) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
PubChem CID45171415
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ncc(CNC2CCCN(C3Cc4ccccc4C3)C2)s1
InChIInChI=1S/C19H25N3S/c1-14-20-11-19(23-14)12-21-17-7-4-8-22(13-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,11,17-18,21H,4,7-10,12-13H2,1H3
InChIKeyOTXWYOHOYGJBGI-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (CID 45171415) is 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine is Cc1ncc(CNC2CCCN(C3Cc4ccccc4C3)C2)s1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is OTXWYOHOYGJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-14-20-11-19(23-14)12-21-17-7-4-8-22(13-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,11,17-18,21H,4,7-10,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 327.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 45171415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).