N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H29N3S — CID 82193773

IUPACN-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCN2CCC(C)CC2)sc1CNC(C)C
InChIInChI=1S/C16H29N3S/c1-12(2)17-11-15-14(4)18-16(20-15)7-10-19-8-5-13(3)6-9-19/h12-13,17H,5-11H2,1-4H3
InChIKeyBXUICPUYBPVTHR-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.22
Rot. Bonds6

About N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82193773) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82193773
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCN2CCC(C)CC2)sc1CNC(C)C
InChIInChI=1S/C16H29N3S/c1-12(2)17-11-15-14(4)18-16(20-15)7-10-19-8-5-13(3)6-9-19/h12-13,17H,5-11H2,1-4H3
InChIKeyBXUICPUYBPVTHR-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637
2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437849
N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433170
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
N-[[4-methyl-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404257
N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430768
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402342
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 64539929
[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82193773) is N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(CCN2CCC(C)CC2)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is BXUICPUYBPVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(2)17-11-15-14(4)18-16(20-15)7-10-19-8-5-13(3)6-9-19/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82193773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).