2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid

C17H17N3O3S — CID 75499808

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid
SMILESCCc1ncc(CN(CC(=O)O)C(=O)c2ccc3[nH]ccc3c2)s1
InChIInChI=1S/C17H17N3O3S/c1-2-15-19-8-13(24-15)9-20(10-16(21)22)17(23)12-3-4-14-11(7-12)5-6-18-14/h3-8,18H,2,9-10H2,1H3,(H,21,22)
InChIKeyVOLSUCCTZPFANR-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.91
Rot. Bonds6

About 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid

2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid (PubChem CID 75499808) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid
PubChem CID75499808
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid
SMILESCCc1ncc(CN(CC(=O)O)C(=O)c2ccc3[nH]ccc3c2)s1
InChIInChI=1S/C17H17N3O3S/c1-2-15-19-8-13(24-15)9-20(10-16(21)22)17(23)12-3-4-14-11(7-12)5-6-18-14/h3-8,18H,2,9-10H2,1H3,(H,21,22)
InChIKeyVOLSUCCTZPFANR-UHFFFAOYSA-N
XLogP2.91
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-thiazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507810
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N-(2,4-dimethylphenyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 16296807
((1,3-Benzothiazol-2-ylmethyl){[2-(1H-indol-5-yl)-4-methyl-1,3-thiazol-5-yl]carbonyl}amino)acetic acid
CID 44571296
N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 66605403
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-(1,3-thiazol-2-yl)methanone
CID 44531109
2-[(2S)-3-(1H-indol-3-yl)-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]sulfanylacetic acid
CID 122180367
3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoic acid
CID 3729143
N-[2-(5-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 1830663
US11535621, Example 31
CID 155598553
US11535621, Example 11
CID 155598731
Indolokine A3
CID 156515665

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid (CID 75499808) is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid is CCc1ncc(CN(CC(=O)O)C(=O)c2ccc3[nH]ccc3c2)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid?
The InChIKey is VOLSUCCTZPFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-15-19-8-13(24-15)9-20(10-16(21)22)17(23)12-3-4-14-11(7-12)5-6-18-14/h3-8,18H,2,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid?
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid has a molecular weight of 343.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 75499808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).