5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C18H20N6S — CID 15979138

IUPAC5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1
InChIInChI=1S/C18H20N6S/c1-13-5-6-14(11-20-13)15-12-21-18(25-15)23-16-3-2-4-17(22-16)24-9-7-19-8-10-24/h2-6,11-12,19H,7-10H2,1H3,(H,21,22,23)
InChIKeyUUKXPTABDYCDDA-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.06
Rot. Bonds4

About 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979138) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979138
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1
InChIInChI=1S/C18H20N6S/c1-13-5-6-14(11-20-13)15-12-21-18(25-15)23-16-3-2-4-17(22-16)24-9-7-19-8-10-24/h2-6,11-12,19H,7-10H2,1H3,(H,21,22,23)
InChIKeyUUKXPTABDYCDDA-UHFFFAOYSA-N
XLogP3.06
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979138) is 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is UUKXPTABDYCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-13-5-6-14(11-20-13)15-12-21-18(25-15)23-16-3-2-4-17(22-16)24-9-7-19-8-10-24/h2-6,11-12,19H,7-10H2,1H3,(H,21,22,23).
What are the key properties of 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).