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

C21H18FN3O2S — CID 87544536

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-11-8-13-4-2-3-5-16(13)17)28-21(23-12)25-19(26)14-6-9-15(22)10-7-14/h2-7,9-10,17H,8,11H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHTYCVUBZBOQWLJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.26
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 87544536) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID87544536
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-11-8-13-4-2-3-5-16(13)17)28-21(23-12)25-19(26)14-6-9-15(22)10-7-14/h2-7,9-10,17H,8,11H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHTYCVUBZBOQWLJ-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544054
2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543850
N-(2-chlorophenyl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468215
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 94652721
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25487043
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17439358

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 87544536) is N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HTYCVUBZBOQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-11-8-13-4-2-3-5-16(13)17)28-21(23-12)25-19(26)14-6-9-15(22)10-7-14/h2-7,9-10,17H,8,11H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).