2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid

C18H17N3O4S — CID 59513955

IUPAC2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(C(=O)Nc3nccs3)cn(CC3CC3)c2c1
InChIInChI=1S/C18H17N3O4S/c22-16(23)10-25-12-3-4-13-14(17(24)20-18-19-5-6-26-18)9-21(15(13)7-12)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,22,23)(H,19,20,24)
InChIKeyVGHIPLCFQGJPKF-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.22
Rot. Bonds7

About 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid

2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid (PubChem CID 59513955) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid
PubChem CID59513955
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(C(=O)Nc3nccs3)cn(CC3CC3)c2c1
InChIInChI=1S/C18H17N3O4S/c22-16(23)10-25-12-3-4-13-14(17(24)20-18-19-5-6-26-18)9-21(15(13)7-12)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,22,23)(H,19,20,24)
InChIKeyVGHIPLCFQGJPKF-UHFFFAOYSA-N
XLogP3.22
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-[1-(cyclopropylmethyl)-6-(hydroxymethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217471
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 56761267
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 92637775
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 155688328
2-oxo-1-phenylmethoxy-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382868
4-(2-methoxyethoxy)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 132532959
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid (CID 59513955) is 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid is O=C(O)COc1ccc2c(C(=O)Nc3nccs3)cn(CC3CC3)c2c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid?
The InChIKey is VGHIPLCFQGJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-16(23)10-25-12-3-4-13-14(17(24)20-18-19-5-6-26-18)9-21(15(13)7-12)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,22,23)(H,19,20,24).
What are the key properties of 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid?
2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid has a molecular weight of 371.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid is sourced from PubChem (CID 59513955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).