5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C13H23N3S — CID 120905660

IUPAC5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C13H23N3S/c1-13(2,3)10-5-4-6-16(8-10)9-11-7-15-12(14)17-11/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15)
InChIKeyCZGHSJURBRJGHY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.98
Rot. Bonds2

About 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120905660) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120905660
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C13H23N3S/c1-13(2,3)10-5-4-6-16(8-10)9-11-7-15-12(14)17-11/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15)
InChIKeyCZGHSJURBRJGHY-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120900236

Frequently Asked Questions

What is the IUPAC name of 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120905660) is 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is CC(C)(C)C1CCCN(Cc2cnc(N)s2)C1.
What is the InChIKey of 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CZGHSJURBRJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,3)10-5-4-6-16(8-10)9-11-7-15-12(14)17-11/h7,10H,4-6,8-9H2,1-3H3,(H2,14,15).
What are the key properties of 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).