5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C14H19N3S — CID 107874695

IUPAC5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCc2cscn2)nc1
InChIInChI=1S/C14H19N3S/c1-14(2,3)11-4-5-13(16-8-11)15-7-6-12-9-18-10-17-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)
InChIKeyRALFZFTURKYGDL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds4

About 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 107874695) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID107874695
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCc2cscn2)nc1
InChIInChI=1S/C14H19N3S/c1-14(2,3)11-4-5-13(16-8-11)15-7-6-12-9-18-10-17-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)
InChIKeyRALFZFTURKYGDL-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 107874695) is 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is CC(C)(C)c1ccc(NCCc2cscn2)nc1.
What is the InChIKey of 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is RALFZFTURKYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2,3)11-4-5-13(16-8-11)15-7-6-12-9-18-10-17-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 107874695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).