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

C19H25N3S — CID 30675416

IUPAC(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ncc(CN[C@H]2CCCN(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/t17-/m0/s1
InChIKeyOTXWYOHOYGJBGI-KRWDZBQOSA-N
MW327.50 g/mol
LogP3.17
Rot. Bonds4

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

(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 30675416) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
PubChem CID30675416
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ncc(CN[C@H]2CCCN(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/t17-/m0/s1
InChIKeyOTXWYOHOYGJBGI-KRWDZBQOSA-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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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 45171415
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 45250257
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 51901465
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 29150876
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine
CID 45212041
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine
CID 95868484
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
CID 95868870
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (CID 30675416) is (3S)-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 (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine is Cc1ncc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)s1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is OTXWYOHOYGJBGI-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
(3S)-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 (3S)-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 30675416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).