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

C22H21N3O2S — CID 1468293

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1
InChIInChI=1S/C22H21N3O2S/c1-13-5-3-8-17(11-13)20(26)25-22-23-14(2)19(28-22)21(27)24-18-10-9-15-6-4-7-16(15)12-18/h3,5,8-12H,4,6-7H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyZQRSSLZCVSRHHO-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.75
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1468293) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1468293
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1
InChIInChI=1S/C22H21N3O2S/c1-13-5-3-8-17(11-13)20(26)25-22-23-14(2)19(28-22)21(27)24-18-10-9-15-6-4-7-16(15)12-18/h3,5,8-12H,4,6-7H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyZQRSSLZCVSRHHO-UHFFFAOYSA-N
XLogP4.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.75
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)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 1468293) is N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(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)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ZQRSSLZCVSRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-13-5-3-8-17(11-13)20(26)25-22-23-14(2)19(28-22)21(27)24-18-10-9-15-6-4-7-16(15)12-18/h3,5,8-12H,4,6-7H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.75, 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)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).