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

C18H19N5S — CID 70691636

IUPAC5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cc1
InChIInChI=1S/C18H19N5S/c1-2-5-14(6-3-1)15-13-20-18(24-15)22-16-7-4-8-17(21-16)23-11-9-19-10-12-23/h1-8,13,19H,9-12H2,(H,20,21,22)
InChIKeyHJAJKTBYEIGNCK-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.36
Rot. Bonds4

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

5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 70691636) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID70691636
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cc1
InChIInChI=1S/C18H19N5S/c1-2-5-14(6-3-1)15-13-20-18(24-15)22-16-7-4-8-17(21-16)23-11-9-19-10-12-23/h1-8,13,19H,9-12H2,(H,20,21,22)
InChIKeyHJAJKTBYEIGNCK-UHFFFAOYSA-N
XLogP3.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 70691636) is 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cc1.
What is the InChIKey of 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is HJAJKTBYEIGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-2-5-14(6-3-1)15-13-20-18(24-15)22-16-7-4-8-17(21-16)23-11-9-19-10-12-23/h1-8,13,19H,9-12H2,(H,20,21,22).
What are the key properties of 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 337.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70691636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).