methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate

C24H22N2O4S — CID 3063473

IUPACmethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C24H22N2O4S/c1-28-18-10-6-16(7-11-18)22-23(17-8-12-19(29-2)13-9-17)31-24(25-22)20-5-4-14-26(20)15-21(27)30-3/h4-14H,15H2,1-3H3
InChIKeyUPGJYJSMOOPNSM-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.14
Rot. Bonds7

About methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate

methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate (PubChem CID 3063473) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
PubChem CID3063473
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Namemethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C24H22N2O4S/c1-28-18-10-6-16(7-11-18)22-23(17-8-12-19(29-2)13-9-17)31-24(25-22)20-5-4-14-26(20)15-21(27)30-3/h4-14H,15H2,1-3H3
InChIKeyUPGJYJSMOOPNSM-UHFFFAOYSA-N
XLogP5.14
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide
CID 19095262
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
CID 165131409
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900912
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
CID 134141804
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53369144
methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
CID 126087414

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate (CID 3063473) is methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate is COC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate?
The InChIKey is UPGJYJSMOOPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-28-18-10-6-16(7-11-18)22-23(17-8-12-19(29-2)13-9-17)31-24(25-22)20-5-4-14-26(20)15-21(27)30-3/h4-14H,15H2,1-3H3.
What are the key properties of methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate?
methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate has a molecular weight of 434.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate is sourced from PubChem (CID 3063473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).