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

C13H23N3S — CID 58523832

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)c1nc(CNC2CCNCC2)cs1
InChIInChI=1S/C13H23N3S/c1-13(2,3)12-16-11(9-17-12)8-15-10-4-6-14-7-5-10/h9-10,14-15H,4-8H2,1-3H3
InChIKeyZXTNLYUUNDHSBR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.28
Rot. Bonds3

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 58523832) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID58523832
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)c1nc(CNC2CCNCC2)cs1
InChIInChI=1S/C13H23N3S/c1-13(2,3)12-16-11(9-17-12)8-15-10-4-6-14-7-5-10/h9-10,14-15H,4-8H2,1-3H3
InChIKeyZXTNLYUUNDHSBR-UHFFFAOYSA-N
XLogP2.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 58523832) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is CC(C)(C)c1nc(CNC2CCNCC2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is ZXTNLYUUNDHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,3)12-16-11(9-17-12)8-15-10-4-6-14-7-5-10/h9-10,14-15H,4-8H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 58523832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).