4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C13H17N3S — CID 22063652

IUPAC4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1csc(CCc2ccnc(N)c2)n1
InChIInChI=1S/C13H17N3S/c1-9(2)11-8-17-13(16-11)4-3-10-5-6-15-12(14)7-10/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyJJMVEQQEEBFBPC-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.03
Rot. Bonds4

About 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 22063652) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID22063652
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1csc(CCc2ccnc(N)c2)n1
InChIInChI=1S/C13H17N3S/c1-9(2)11-8-17-13(16-11)4-3-10-5-6-15-12(14)7-10/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyJJMVEQQEEBFBPC-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 22063652) is 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is CC(C)c1csc(CCc2ccnc(N)c2)n1.
What is the InChIKey of 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is JJMVEQQEEBFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)11-8-17-13(16-11)4-3-10-5-6-15-12(14)7-10/h5-9H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 22063652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).