N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine

C12H10N4S2 — CID 99832865

IUPACN-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
SMILESc1cnc(NCc2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C12H10N4S2/c1-4-17-7-9(1)12-16-10(8-18-12)5-15-11-6-13-2-3-14-11/h1-4,6-8H,5H2,(H,14,15)
InChIKeyZKCMWEQJPGYNJH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine

N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 99832865) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
PubChem CID99832865
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC NameN-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
SMILESc1cnc(NCc2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C12H10N4S2/c1-4-17-7-9(1)12-16-10(8-18-12)5-15-11-6-13-2-3-14-11/h1-4,6-8H,5H2,(H,14,15)
InChIKeyZKCMWEQJPGYNJH-UHFFFAOYSA-N
XLogP3.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine (CID 99832865) is N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine is c1cnc(NCc2csc(-c3ccsc3)n2)cn1.
What is the InChIKey of N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is ZKCMWEQJPGYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-4-17-7-9(1)12-16-10(8-18-12)5-15-11-6-13-2-3-14-11/h1-4,6-8H,5H2,(H,14,15).
What are the key properties of N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine?
N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 99832865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).