4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide

C20H20N2O3S — CID 10021953

IUPAC4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)20(23)19-21-17(13-5-9-15(24-3)10-6-13)18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3
InChIKeyOUFIJXBBZSPURW-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.20
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide

4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 10021953) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID10021953
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)20(23)19-21-17(13-5-9-15(24-3)10-6-13)18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3
InChIKeyOUFIJXBBZSPURW-UHFFFAOYSA-N
XLogP4.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Itazigrel
CID 51087
FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide (CID 10021953) is 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide is COc1ccc(-c2nc(C(=O)N(C)C)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is OUFIJXBBZSPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(2)20(23)19-21-17(13-5-9-15(24-3)10-6-13)18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).