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

C22H24N2O3S — CID 10069331

IUPACN,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C22H24N2O3S/c1-5-24(6-2)22(25)21-23-19(15-7-11-17(26-3)12-8-15)20(28-21)16-9-13-18(27-4)14-10-16/h7-14H,5-6H2,1-4H3
InChIKeyIWXRUBAFTUZKFB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.98
Rot. Bonds7

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

N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 10069331) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID10069331
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C22H24N2O3S/c1-5-24(6-2)22(25)21-23-19(15-7-11-17(26-3)12-8-15)20(28-21)16-9-13-18(27-4)14-10-16/h7-14H,5-6H2,1-4H3
InChIKeyIWXRUBAFTUZKFB-UHFFFAOYSA-N
XLogP4.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.98
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
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide (CID 10069331) is N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide is CCN(CC)C(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is IWXRUBAFTUZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-5-24(6-2)22(25)21-23-19(15-7-11-17(26-3)12-8-15)20(28-21)16-9-13-18(27-4)14-10-16/h7-14H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10069331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).