N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C21H21N3O4S — CID 16644290

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C)nc2C)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-12-19(29-13(2)22-12)21(26)24-16-11-17(27-3)15(10-18(16)28-4)23-20(25)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyJJQSUGFYEXWTRC-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.28
Rot. Bonds6

About N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 16644290) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID16644290
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C)nc2C)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-12-19(29-13(2)22-12)21(26)24-16-11-17(27-3)15(10-18(16)28-4)23-20(25)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyJJQSUGFYEXWTRC-UHFFFAOYSA-N
XLogP4.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 16644290) is N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(C)nc2C)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JJQSUGFYEXWTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-12-19(29-13(2)22-12)21(26)24-16-11-17(27-3)15(10-18(16)28-4)23-20(25)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16644290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).