2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

C16H19N3O3S — CID 59361767

IUPAC2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
SMILESCCCOc1cc(N)c2[nH]c(C3=NCC(CC(=O)O)S3)cc2c1
InChIInChI=1S/C16H19N3O3S/c1-2-3-22-10-4-9-5-13(19-15(9)12(17)6-10)16-18-8-11(23-16)7-14(20)21/h4-6,11,19H,2-3,7-8,17H2,1H3,(H,20,21)
InChIKeyUVVSIESDOQHSKF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.88
Rot. Bonds6

About 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid (PubChem CID 59361767) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
PubChem CID59361767
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
SMILESCCCOc1cc(N)c2[nH]c(C3=NCC(CC(=O)O)S3)cc2c1
InChIInChI=1S/C16H19N3O3S/c1-2-3-22-10-4-9-5-13(19-15(9)12(17)6-10)16-18-8-11(23-16)7-14(20)21/h4-6,11,19H,2-3,7-8,17H2,1H3,(H,20,21)
InChIKeyUVVSIESDOQHSKF-UHFFFAOYSA-N
XLogP2.88
TPSA100.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[7-amino-5-(2-hydroxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid;methane;thiophene-2-thiol;dihydrate
CID 158586168
2-[2-[7-amino-5-(2-methoxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide;methane;thiophene-2-thiol;dihydrate
CID 158565410
2-[2-[7-amino-5-(2-hydroxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide;methane;thiophene-2-thiol;dihydrate
CID 160964993
ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
CID 143825662
2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid;sulfur dioxide
CID 123690028
1-[2-[5-[(6-ethyl-3-pyridinyl)oxy]-7-methoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]pentan-2-one
CID 58236939
4-[1-[[7-amino-2-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]-2-hydroxyethyl]-1H-pyridine-2-thione
CID 163900317
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
ethyl 7-amino-5-(3-methylsulfanylpropoxy)-1H-indole-2-carboxylate
CID 59135848
2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 67119182
2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide
CID 123644551
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate
CID 59428733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid (CID 59361767) is 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid is CCCOc1cc(N)c2[nH]c(C3=NCC(CC(=O)O)S3)cc2c1.
What is the InChIKey of 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid?
The InChIKey is UVVSIESDOQHSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-3-22-10-4-9-5-13(19-15(9)12(17)6-10)16-18-8-11(23-16)7-14(20)21/h4-6,11,19H,2-3,7-8,17H2,1H3,(H,20,21).
What are the key properties of 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid?
2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid has a molecular weight of 333.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-amino-5-propoxy-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 59361767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).