[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C17H31N3S — CID 63161163

IUPAC[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1(CC)CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C17H31N3S/c1-6-17(7-2)8-10-20(11-9-17)15-19-14(16(3,4)5)13(12-18)21-15/h6-12,18H2,1-5H3
InChIKeyDDBFAVFLIIIQNL-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.31
Rot. Bonds4

About [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63161163) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63161163
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1(CC)CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C17H31N3S/c1-6-17(7-2)8-10-20(11-9-17)15-19-14(16(3,4)5)13(12-18)21-15/h6-12,18H2,1-5H3
InChIKeyDDBFAVFLIIIQNL-UHFFFAOYSA-N
XLogP4.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62767415
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63627381
[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117839
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 65286588
[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 63161595
1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63161251
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
2-[2-(azepan-1-yl)-4-tert-butyl-1,3-thiazol-5-yl]acetonitrile
CID 82439768
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63161163) is [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCC1(CC)CCN(c2nc(C(C)(C)C)c(CN)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DDBFAVFLIIIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-17(7-2)8-10-20(11-9-17)15-19-14(16(3,4)5)13(12-18)21-15/h6-12,18H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 309.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63161163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).