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

C17H31N3S — CID 82439448

IUPAC2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC1CCN(Cc2nc(C(C)(C)C)c(C(C)(C)N)s2)CC1
InChIInChI=1S/C17H31N3S/c1-12-7-9-20(10-8-12)11-13-19-14(16(2,3)4)15(21-13)17(5,6)18/h12H,7-11,18H2,1-6H3
InChIKeyQOSCIIPINAJLJY-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.87
Rot. Bonds3

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

2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82439448) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82439448
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC1CCN(Cc2nc(C(C)(C)C)c(C(C)(C)N)s2)CC1
InChIInChI=1S/C17H31N3S/c1-12-7-9-20(10-8-12)11-13-19-14(16(2,3)4)15(21-13)17(5,6)18/h12H,7-11,18H2,1-6H3
InChIKeyQOSCIIPINAJLJY-UHFFFAOYSA-N
XLogP3.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427520
2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430560
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514
2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438893
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438910
2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438829
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435296

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (CID 82439448) is 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is CC1CCN(Cc2nc(C(C)(C)C)c(C(C)(C)N)s2)CC1.
What is the InChIKey of 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is QOSCIIPINAJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12-7-9-20(10-8-12)11-13-19-14(16(2,3)4)15(21-13)17(5,6)18/h12H,7-11,18H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82439448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).