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

C21H18FN3O2S — CID 1468289

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-10-7-13-3-2-4-15(13)11-17)28-21(23-12)25-19(26)14-5-8-16(22)9-6-14/h5-11H,2-4H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyAOVUGFYXLDXERK-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.58
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468289) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID1468289
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-10-7-13-3-2-4-15(13)11-17)28-21(23-12)25-19(26)14-5-8-16(22)9-6-14/h5-11H,2-4H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyAOVUGFYXLDXERK-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 1468289) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AOVUGFYXLDXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12-18(20(27)24-17-10-7-13-3-2-4-15(13)11-17)28-21(23-12)25-19(26)14-5-8-16(22)9-6-14/h5-11H,2-4H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.58, 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-5-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).