(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C16H27N3S — CID 97348118

IUPAC(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cs1
InChIInChI=1S/C16H27N3S/c1-12(17-9-15-11-20-13(2)18-15)14-5-4-8-19(10-14)16-6-3-7-16/h11-12,14,16-17H,3-10H2,1-2H3/t12-,14-/m1/s1
InChIKeySUZULDOCJMIDOX-TZMCWYRMSA-N
MW293.48 g/mol
LogP3.19
Rot. Bonds5

About (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 97348118) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID97348118
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cs1
InChIInChI=1S/C16H27N3S/c1-12(17-9-15-11-20-13(2)18-15)14-5-4-8-19(10-14)16-6-3-7-16/h11-12,14,16-17H,3-10H2,1-2H3/t12-,14-/m1/s1
InChIKeySUZULDOCJMIDOX-TZMCWYRMSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79089440
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913507
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 62323527
2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride
CID 22069132
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 97348118) is (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CN[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cs1.
What is the InChIKey of (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is SUZULDOCJMIDOX-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(17-9-15-11-20-13(2)18-15)14-5-4-8-19(10-14)16-6-3-7-16/h11-12,14,16-17H,3-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 97348118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).