N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine

C25H25N5S — CID 89423090

IUPACN-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2cccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)n2)CC1
InChIInChI=1S/C25H25N5S/c1-29-14-16-30(17-15-29)24-9-5-8-23(27-24)28-25-26-22(18-31-25)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,26,27,28)
InChIKeySSWIIYJKQQWCKR-UHFFFAOYSA-N
MW427.58 g/mol
LogP5.37
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine

N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 89423090) has the molecular formula C25H25N5S and a molecular weight of 427.58 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID89423090
Molecular FormulaC25H25N5S
Molecular Weight427.58 g/mol
Exact Mass427.18
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2cccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)n2)CC1
InChIInChI=1S/C25H25N5S/c1-29-14-16-30(17-15-29)24-9-5-8-23(27-24)28-25-26-22(18-31-25)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,26,27,28)
InChIKeySSWIIYJKQQWCKR-UHFFFAOYSA-N
XLogP5.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine (CID 89423090) is N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine is CN1CCN(c2cccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)n2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SSWIIYJKQQWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5S/c1-29-14-16-30(17-15-29)24-9-5-8-23(27-24)28-25-26-22(18-31-25)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,26,27,28).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 427.58 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).