methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

C22H24N2O4S — CID 167465614

IUPACmethyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)sc1C
InChIInChI=1S/C22H24N2O4S/c1-15-20(21(25)28-4)23-22(29-15)24(13-16-7-5-9-18(11-16)26-2)14-17-8-6-10-19(12-17)27-3/h5-12H,13-14H2,1-4H3
InChIKeyFUBUGKPFWQWAJK-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.46
Rot. Bonds8

About methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 167465614) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID167465614
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Namemethyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)sc1C
InChIInChI=1S/C22H24N2O4S/c1-15-20(21(25)28-4)23-22(29-15)24(13-16-7-5-9-18(11-16)26-2)14-17-8-6-10-19(12-17)27-3/h5-12H,13-14H2,1-4H3
InChIKeyFUBUGKPFWQWAJK-UHFFFAOYSA-N
XLogP4.46
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 167465614) is methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)sc1C.
What is the InChIKey of methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is FUBUGKPFWQWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-20(21(25)28-4)23-22(29-15)24(13-16-7-5-9-18(11-16)26-2)14-17-8-6-10-19(12-17)27-3/h5-12H,13-14H2,1-4H3.
What are the key properties of methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 412.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(3-methoxyphenyl)methyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 167465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).