4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine

C30H33N3O2S — CID 155556946

IUPAC4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NC3CCN(Cc4ccc(C)cc4)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O2S/c1-21-4-6-22(7-5-21)20-33-18-16-25(17-19-33)31-30-32-28(23-8-12-26(34-2)13-9-23)29(36-30)24-10-14-27(35-3)15-11-24/h4-15,25H,16-20H2,1-3H3,(H,31,32)
InChIKeyRCNPQETVOMKGRM-UHFFFAOYSA-N
MW499.68 g/mol
LogP6.88
Rot. Bonds8

About 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine

4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155556946) has the molecular formula C30H33N3O2S and a molecular weight of 499.68 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155556946
Molecular FormulaC30H33N3O2S
Molecular Weight499.68 g/mol
Exact Mass499.23
IUPAC Name4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NC3CCN(Cc4ccc(C)cc4)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O2S/c1-21-4-6-22(7-5-21)20-33-18-16-25(17-19-33)31-30-32-28(23-8-12-26(34-2)13-9-23)29(36-30)24-10-14-27(35-3)15-11-24/h4-15,25H,16-20H2,1-3H3,(H,31,32)
InChIKeyRCNPQETVOMKGRM-UHFFFAOYSA-N
XLogP6.88
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.68
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (CID 155556946) is 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is COc1ccc(-c2nc(NC3CCN(Cc4ccc(C)cc4)CC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is RCNPQETVOMKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2S/c1-21-4-6-22(7-5-21)20-33-18-16-25(17-19-33)31-30-32-28(23-8-12-26(34-2)13-9-23)29(36-30)24-10-14-27(35-3)15-11-24/h4-15,25H,16-20H2,1-3H3,(H,31,32).
What are the key properties of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 499.68 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155556946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).