N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine

C16H29N3S — CID 63638191

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1csc(C(C)(C)C)n1)C1CCCNC1
InChIInChI=1S/C16H29N3S/c1-5-9-19(14-7-6-8-17-10-14)11-13-12-20-15(18-13)16(2,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyQWFABHXLLDNIQT-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63638191) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID63638191
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1csc(C(C)(C)C)n1)C1CCCNC1
InChIInChI=1S/C16H29N3S/c1-5-9-19(14-7-6-8-17-10-14)11-13-12-20-15(18-13)16(2,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyQWFABHXLLDNIQT-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498
N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186891
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63637158
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine (CID 63638191) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1csc(C(C)(C)C)n1)C1CCCNC1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is QWFABHXLLDNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-9-19(14-7-6-8-17-10-14)11-13-12-20-15(18-13)16(2,3)4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63638191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).