N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

C22H21N3O3S — CID 1468296

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1
InChIInChI=1S/C22H21N3O3S/c1-13-19(21(27)24-17-10-9-14-5-3-6-15(14)11-17)29-22(23-13)25-20(26)16-7-4-8-18(12-16)28-2/h4,7-12H,3,5-6H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYRRICHXYUJMRRD-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.45
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468296) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID1468296
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1
InChIInChI=1S/C22H21N3O3S/c1-13-19(21(27)24-17-10-9-14-5-3-6-15(14)11-17)29-22(23-13)25-20(26)16-7-4-8-18(12-16)28-2/h4,7-12H,3,5-6H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYRRICHXYUJMRRD-UHFFFAOYSA-N
XLogP4.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468297
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
CID 87632450
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 108784552
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3-methoxybenzamide
CID 111043064
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 1468296) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YRRICHXYUJMRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-13-19(21(27)24-17-10-9-14-5-3-6-15(14)11-17)29-22(23-13)25-20(26)16-7-4-8-18(12-16)28-2/h4,7-12H,3,5-6H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).