2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C16H17N3O2S — CID 87543958

IUPAC2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1nc(C)c(C(=O)NC2CCc3ccccc32)s1
InChIInChI=1S/C16H17N3O2S/c1-9-14(22-16(17-9)18-10(2)20)15(21)19-13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyKDEWDLZGTGUZEU-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.83
Rot. Bonds3

About 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 87543958) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID87543958
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1nc(C)c(C(=O)NC2CCc3ccccc32)s1
InChIInChI=1S/C16H17N3O2S/c1-9-14(22-16(17-9)18-10(2)20)15(21)19-13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyKDEWDLZGTGUZEU-UHFFFAOYSA-N
XLogP2.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544054
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 87544536
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471
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-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 91472583
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
CID 90648353
ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86955302
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 87543958) is 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)Nc1nc(C)c(C(=O)NC2CCc3ccccc32)s1.
What is the InChIKey of 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KDEWDLZGTGUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-14(22-16(17-9)18-10(2)20)15(21)19-13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87543958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).