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

C13H18N4S — CID 133292488

IUPACN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnccn1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H18N4S/c1-9(16-11-7-14-5-6-15-11)12-17-10(8-18-12)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyUKHOAYWQBYCRJU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.40
Rot. Bonds3

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

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine (PubChem CID 133292488) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
PubChem CID133292488
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnccn1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H18N4S/c1-9(16-11-7-14-5-6-15-11)12-17-10(8-18-12)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyUKHOAYWQBYCRJU-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine (CID 133292488) is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine is CC(Nc1cnccn1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The InChIKey is UKHOAYWQBYCRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(16-11-7-14-5-6-15-11)12-17-10(8-18-12)13(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133292488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).