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

C14H19N5S — CID 95825736

IUPAC5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nccnc2C2CCN(C)CC2)s1
InChIInChI=1S/C14H19N5S/c1-10-9-17-14(20-10)18-13-12(15-5-6-16-13)11-3-7-19(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyPJNOSISVEPEZDV-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.79
Rot. Bonds3

About 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine

5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 95825736) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID95825736
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nccnc2C2CCN(C)CC2)s1
InChIInChI=1S/C14H19N5S/c1-10-9-17-14(20-10)18-13-12(15-5-6-16-13)11-3-7-19(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyPJNOSISVEPEZDV-UHFFFAOYSA-N
XLogP2.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 95825736) is 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2nccnc2C2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is PJNOSISVEPEZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-10-9-17-14(20-10)18-13-12(15-5-6-16-13)11-3-7-19(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 289.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95825736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).