[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone

C22H24N2O4S — CID 66780336

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccc(CN(C)C)cc3)n2)c(OC)c1OC
InChIInChI=1S/C22H24N2O4S/c1-24(2)12-14-6-8-15(9-7-14)22-23-17(13-29-22)19(25)16-10-11-18(26-3)21(28-5)20(16)27-4/h6-11,13H,12H2,1-5H3
InChIKeyFKMJKGWHRRMUOQ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.13
Rot. Bonds8

About [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone

[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 66780336) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID66780336
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccc(CN(C)C)cc3)n2)c(OC)c1OC
InChIInChI=1S/C22H24N2O4S/c1-24(2)12-14-6-8-15(9-7-14)22-23-17(13-29-22)19(25)16-10-11-18(26-3)21(28-5)20(16)27-4/h6-11,13H,12H2,1-5H3
InChIKeyFKMJKGWHRRMUOQ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,3,4-trimethoxybenzoate
CID 8611531
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
N-[(5-bromothiophen-3-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 66780336) is [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2csc(-c3ccc(CN(C)C)cc3)n2)c(OC)c1OC.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is FKMJKGWHRRMUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-24(2)12-14-6-8-15(9-7-14)22-23-17(13-29-22)19(25)16-10-11-18(26-3)21(28-5)20(16)27-4/h6-11,13H,12H2,1-5H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone?
[2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 412.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]-1,3-thiazol-4-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 66780336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).