5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

C16H21N3S — CID 79992782

IUPAC5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCC1CC(N)CN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3S/c1-12-7-14(17)9-19(8-12)10-15-11-20-16(18-15)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,17H2,1H3
InChIKeyCDRDKYLJXLETAP-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.98
Rot. Bonds3

About 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 79992782) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
PubChem CID79992782
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCC1CC(N)CN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3S/c1-12-7-14(17)9-19(8-12)10-15-11-20-16(18-15)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,17H2,1H3
InChIKeyCDRDKYLJXLETAP-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79986577
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121159
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 25474469
[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (CID 79992782) is 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is CC1CC(N)CN(Cc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is CDRDKYLJXLETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-7-14(17)9-19(8-12)10-15-11-20-16(18-15)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,17H2,1H3.
What are the key properties of 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79992782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).