1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C13H23N3S — CID 63001484

IUPAC1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2nccs2)CC1
InChIInChI=1S/C13H23N3S/c1-13(2,3)16-7-4-11(5-8-16)15-10-12-14-6-9-17-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3
InChIKeyQJOOHVUZZBRUJU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.50
Rot. Bonds3

About 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 63001484) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID63001484
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2nccs2)CC1
InChIInChI=1S/C13H23N3S/c1-13(2,3)16-7-4-11(5-8-16)15-10-12-14-6-9-17-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3
InChIKeyQJOOHVUZZBRUJU-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
4-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxamide
CID 61283472
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
CID 126836203
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 130519810

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 63001484) is 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCc2nccs2)CC1.
What is the InChIKey of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is QJOOHVUZZBRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,3)16-7-4-11(5-8-16)15-10-12-14-6-9-17-12/h6,9,11,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 63001484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).