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

C30H33N3O3S — CID 155559209

IUPAC4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CN2CCC(Nc3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)s3)CC2)cc1
InChIInChI=1S/C30H33N3O3S/c1-34-25-10-4-21(5-11-25)20-33-18-16-24(17-19-33)31-30-32-28(22-6-12-26(35-2)13-7-22)29(37-30)23-8-14-27(36-3)15-9-23/h4-15,24H,16-20H2,1-3H3,(H,31,32)
InChIKeyQBSKCKXTLASIRW-UHFFFAOYSA-N
MW515.68 g/mol
LogP6.58
Rot. Bonds9

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

4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155559209) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155559209
Molecular FormulaC30H33N3O3S
Molecular Weight515.68 g/mol
Exact Mass515.22
IUPAC Name4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CN2CCC(Nc3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)s3)CC2)cc1
InChIInChI=1S/C30H33N3O3S/c1-34-25-10-4-21(5-11-25)20-33-18-16-24(17-19-33)31-30-32-28(22-6-12-26(35-2)13-7-22)29(37-30)23-8-14-27(36-3)15-9-23/h4-15,24H,16-20H2,1-3H3,(H,31,32)
InChIKeyQBSKCKXTLASIRW-UHFFFAOYSA-N
XLogP6.58
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine (CID 155559209) is 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is COc1ccc(CN2CCC(Nc3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)s3)CC2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is QBSKCKXTLASIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-34-25-10-4-21(5-11-25)20-33-18-16-24(17-19-33)31-30-32-28(22-6-12-26(35-2)13-7-22)29(37-30)23-8-14-27(36-3)15-9-23/h4-15,24H,16-20H2,1-3H3,(H,31,32).
What are the key properties of 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine?
4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 515.68 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155559209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).