3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C16H16N2O3S — CID 146135159

IUPAC3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1nc(CC(=O)NC2CC(C(=O)O)c3ccccc32)cs1
InChIInChI=1S/C16H16N2O3S/c1-9-17-10(8-22-9)6-15(19)18-14-7-13(16(20)21)11-4-2-3-5-12(11)14/h2-5,8,13-14H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyYXHVRECRFPKMPA-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.42
Rot. Bonds4

About 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 146135159) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID146135159
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1nc(CC(=O)NC2CC(C(=O)O)c3ccccc32)cs1
InChIInChI=1S/C16H16N2O3S/c1-9-17-10(8-22-9)6-15(19)18-14-7-13(16(20)21)11-4-2-3-5-12(11)14/h2-5,8,13-14H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyYXHVRECRFPKMPA-UHFFFAOYSA-N
XLogP2.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108733
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116517016
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 146135159) is 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid is Cc1nc(CC(=O)NC2CC(C(=O)O)c3ccccc32)cs1.
What is the InChIKey of 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is YXHVRECRFPKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9-17-10(8-22-9)6-15(19)18-14-7-13(16(20)21)11-4-2-3-5-12(11)14/h2-5,8,13-14H,6-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 146135159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).