1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C17H18N4S — CID 50977090

IUPAC1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cnc(-c3ccccc3C)s2)cn1
InChIInChI=1S/C17H18N4S/c1-12-5-3-4-6-16(12)17-21-11-15(22-17)10-18-8-14-9-19-13(2)7-20-14/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyRMIXYBPFNQXRSC-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 50977090) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID50977090
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cnc(-c3ccccc3C)s2)cn1
InChIInChI=1S/C17H18N4S/c1-12-5-3-4-6-16(12)17-21-11-15(22-17)10-18-8-14-9-19-13(2)7-20-14/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyRMIXYBPFNQXRSC-UHFFFAOYSA-N
XLogP3.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 50977090) is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2cnc(-c3ccccc3C)s2)cn1.
What is the InChIKey of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is RMIXYBPFNQXRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-5-3-4-6-16(12)17-21-11-15(22-17)10-18-8-14-9-19-13(2)7-20-14/h3-7,9,11,18H,8,10H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 310.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 50977090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).