2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide

C20H19N3O5S — CID 87632450

IUPAC2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1.Cc1nc(NC(=O)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C12H10N2O3S.C8H9NO2/c1-7-9(11(16)17)18-12(13-7)14-10(15)8-5-3-2-4-6-8;1-11-7-4-2-3-6(5-7)8(9)10/h2-6H,1H3,(H,16,17)(H,13,14,15);2-5H,1H3,(H2,9,10)
InChIKeyQBBFWIWCYHCAKV-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.20
Rot. Bonds5

About 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide

2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide (PubChem CID 87632450) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide.

Molecular Properties

Compound Name2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
PubChem CID87632450
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1.Cc1nc(NC(=O)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C12H10N2O3S.C8H9NO2/c1-7-9(11(16)17)18-12(13-7)14-10(15)8-5-3-2-4-6-8;1-11-7-4-2-3-6(5-7)8(9)10/h2-6H,1H3,(H,16,17)(H,13,14,15);2-5H,1H3,(H2,9,10)
InChIKeyQBBFWIWCYHCAKV-UHFFFAOYSA-N
XLogP3.20
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468296
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 87544011
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide?
The IUPAC name of 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide (CID 87632450) is 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide.
What is the SMILES notation for 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide?
The canonical SMILES for 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide is COc1cccc(C(N)=O)c1.Cc1nc(NC(=O)c2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide?
The InChIKey is QBBFWIWCYHCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S.C8H9NO2/c1-7-9(11(16)17)18-12(13-7)14-10(15)8-5-3-2-4-6-8;1-11-7-4-2-3-6(5-7)8(9)10/h2-6H,1H3,(H,16,17)(H,13,14,15);2-5H,1H3,(H2,9,10).
What are the key properties of 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide?
2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide has a molecular weight of 413.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide is sourced from PubChem (CID 87632450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).