[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C17H23N3S — CID 62931710

IUPAC[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCN(c2nc(-c3ccccc3)c(CN)s2)CC1
InChIInChI=1S/C17H23N3S/c1-17(2)8-10-20(11-9-17)16-19-15(14(12-18)21-16)13-6-4-3-5-7-13/h3-7H,8-12,18H2,1-2H3
InChIKeyMUZPLFWDHQCCDA-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.90
Rot. Bonds3

About [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 62931710) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID62931710
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCN(c2nc(-c3ccccc3)c(CN)s2)CC1
InChIInChI=1S/C17H23N3S/c1-17(2)8-10-20(11-9-17)16-19-15(14(12-18)21-16)13-6-4-3-5-7-13/h3-7H,8-12,18H2,1-2H3
InChIKeyMUZPLFWDHQCCDA-UHFFFAOYSA-N
XLogP3.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62765321
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
CID 63219275
[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 116730669
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
CID 115562471
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
CID 66371626

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 62931710) is [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CC1(C)CCN(c2nc(-c3ccccc3)c(CN)s2)CC1.
What is the InChIKey of [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is MUZPLFWDHQCCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-17(2)8-10-20(11-9-17)16-19-15(14(12-18)21-16)13-6-4-3-5-7-13/h3-7H,8-12,18H2,1-2H3.
What are the key properties of [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 301.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62931710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).