N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

C17H31N3S — CID 82439416

IUPACN-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CN2CCCCC2C)nc1C(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-18-11-14-16(17(3,4)5)19-15(21-14)12-20-10-8-7-9-13(20)2/h13,18H,6-12H2,1-5H3
InChIKeyMRUZGHNUXSEQBA-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.92
Rot. Bonds5

About N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82439416) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82439416
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CN2CCCCC2C)nc1C(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-18-11-14-16(17(3,4)5)19-15(21-14)12-20-10-8-7-9-13(20)2/h13,18H,6-12H2,1-5H3
InChIKeyMRUZGHNUXSEQBA-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427463
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432970
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82430727
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82439416) is N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CN2CCCCC2C)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MRUZGHNUXSEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-18-11-14-16(17(3,4)5)19-15(21-14)12-20-10-8-7-9-13(20)2/h13,18H,6-12H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 309.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82439416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).