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

C17H31N3S — CID 62764654

IUPACN-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCN(c2nc(C(C)(C)C)c(CNC(C)C)s2)C1
InChIInChI=1S/C17H31N3S/c1-12(2)18-10-14-15(17(4,5)6)19-16(21-14)20-9-7-8-13(3)11-20/h12-13,18H,7-11H2,1-6H3
InChIKeyMLSWNRNTVUNAJT-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.17
Rot. Bonds4

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

N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62764654) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62764654
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1CCCN(c2nc(C(C)(C)C)c(CNC(C)C)s2)C1
InChIInChI=1S/C17H31N3S/c1-12(2)18-10-14-15(17(4,5)6)19-16(21-14)20-9-7-8-13(3)11-20/h12-13,18H,7-11H2,1-6H3
InChIKeyMLSWNRNTVUNAJT-UHFFFAOYSA-N
XLogP4.17
TPSA28.16 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
N-[[4-tert-butyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62769320
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63627381
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62765352
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750048

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62764654) is N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC1CCCN(c2nc(C(C)(C)C)c(CNC(C)C)s2)C1.
What is the InChIKey of N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is MLSWNRNTVUNAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12(2)18-10-14-15(17(4,5)6)19-16(21-14)20-9-7-8-13(3)11-20/h12-13,18H,7-11H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.17, 4 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-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62764654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).