1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C16H17N5S — CID 131940216

IUPAC1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2csc(-c3cnccn3)n2)nc1
InChIInChI=1S/C16H17N5S/c1-2-12-3-4-13(20-7-12)8-18-9-14-11-22-16(21-14)15-10-17-5-6-19-15/h3-7,10-11,18H,2,8-9H2,1H3
InChIKeyRTTSLMZVXLBESS-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.85
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 131940216) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID131940216
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2csc(-c3cnccn3)n2)nc1
InChIInChI=1S/C16H17N5S/c1-2-12-3-4-13(20-7-12)8-18-9-14-11-22-16(21-14)15-10-17-5-6-19-15/h3-7,10-11,18H,2,8-9H2,1H3
InChIKeyRTTSLMZVXLBESS-UHFFFAOYSA-N
XLogP2.85
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 131940216) is 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CCc1ccc(CNCc2csc(-c3cnccn3)n2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is RTTSLMZVXLBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-12-3-4-13(20-7-12)8-18-9-14-11-22-16(21-14)15-10-17-5-6-19-15/h3-7,10-11,18H,2,8-9H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 311.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 131940216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).