2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid

C17H15N3O4S3 — CID 67486980

IUPAC2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C(=O)O)S3)[nH]c12
InChIInChI=1S/C17H15N3O4S3/c1-9-5-6-25-17(9)27(23,24)20-11-4-2-3-10-7-12(19-14(10)11)15-18-8-13(26-15)16(21)22/h2-7,13,19-20H,8H2,1H3,(H,21,22)
InChIKeyLXUVDNVOGLNFMM-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.29
Rot. Bonds5

About 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid

2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid (PubChem CID 67486980) has the molecular formula C17H15N3O4S3 and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
PubChem CID67486980
Molecular FormulaC17H15N3O4S3
Molecular Weight421.53 g/mol
Exact Mass421.02
IUPAC Name2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C(=O)O)S3)[nH]c12
InChIInChI=1S/C17H15N3O4S3/c1-9-5-6-25-17(9)27(23,24)20-11-4-2-3-10-7-12(19-14(10)11)15-18-8-13(26-15)16(21)22/h2-7,13,19-20H,8H2,1H3,(H,21,22)
InChIKeyLXUVDNVOGLNFMM-UHFFFAOYSA-N
XLogP3.29
TPSA111.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid (CID 67486980) is 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid is Cc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C(=O)O)S3)[nH]c12.
What is the InChIKey of 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The InChIKey is LXUVDNVOGLNFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S3/c1-9-5-6-25-17(9)27(23,24)20-11-4-2-3-10-7-12(19-14(10)11)15-18-8-13(26-15)16(21)22/h2-7,13,19-20H,8H2,1H3,(H,21,22).
What are the key properties of 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid has a molecular weight of 421.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 67486980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).