5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C17H19N7S — CID 15979137

IUPAC5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1
InChIInChI=1S/C17H19N7S/c1-12-20-9-13(10-21-12)15-11-22-17(25-15)23-16-8-14(2-3-19-16)24-6-4-18-5-7-24/h2-3,8-11,18H,4-7H2,1H3,(H,19,22,23)
InChIKeyADMKRAXLUPXUIU-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.46
Rot. Bonds4

About 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979137) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979137
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1
InChIInChI=1S/C17H19N7S/c1-12-20-9-13(10-21-12)15-11-22-17(25-15)23-16-8-14(2-3-19-16)24-6-4-18-5-7-24/h2-3,8-11,18H,4-7H2,1H3,(H,19,22,23)
InChIKeyADMKRAXLUPXUIU-UHFFFAOYSA-N
XLogP2.46
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979137) is 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ADMKRAXLUPXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S/c1-12-20-9-13(10-21-12)15-11-22-17(25-15)23-16-8-14(2-3-19-16)24-6-4-18-5-7-24/h2-3,8-11,18H,4-7H2,1H3,(H,19,22,23).
What are the key properties of 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 353.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).