N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine

C12H16N4S — CID 91651070

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCCc1nc(CNc2nc(C)cnc2C)cs1
InChIInChI=1S/C12H16N4S/c1-4-11-16-10(7-17-11)6-14-12-9(3)13-5-8(2)15-12/h5,7H,4,6H2,1-3H3,(H,14,15)
InChIKeyPXVWBHVBSQWMNW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 91651070) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID91651070
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCCc1nc(CNc2nc(C)cnc2C)cs1
InChIInChI=1S/C12H16N4S/c1-4-11-16-10(7-17-11)6-14-12-9(3)13-5-8(2)15-12/h5,7H,4,6H2,1-3H3,(H,14,15)
InChIKeyPXVWBHVBSQWMNW-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine (CID 91651070) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine is CCc1nc(CNc2nc(C)cnc2C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is PXVWBHVBSQWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-4-11-16-10(7-17-11)6-14-12-9(3)13-5-8(2)15-12/h5,7H,4,6H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 91651070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).