2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine

C19H17N3O2S — CID 123976011

IUPAC2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
SMILESCc1ccccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C16H13NO2.C3H4N2S/c1-10-5-2-3-7-12(10)14-9-11-6-4-8-13(16(18)19)15(11)17-14;4-3-5-1-2-6-3/h2-8H,9H2,1H3,(H,18,19);1-2H,(H2,4,5)
InChIKeyFSBJIHYMUZAUEA-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.10
Rot. Bonds2

About 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine

2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine (PubChem CID 123976011) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
PubChem CID123976011
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
SMILESCc1ccccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1
InChIInChI=1S/C16H13NO2.C3H4N2S/c1-10-5-2-3-7-12(10)14-9-11-6-4-8-13(16(18)19)15(11)17-14;4-3-5-1-2-6-3/h2-8H,9H2,1H3,(H,18,19);1-2H,(H2,4,5)
InChIKeyFSBJIHYMUZAUEA-UHFFFAOYSA-N
XLogP4.10
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-Hydroxy-1-oxo-2-(1,3-thiazol-2-yl)isoquinolin-4-yl]methylideneamino]benzoic acid
CID 2390139
2-(2-Thiazolylamino)benzoic acid
CID 13795800
2-amino-3-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalene-2-carbonyl]benzoic acid
CID 67656504
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123344718
2-[2-(difluoromethyl)-4-fluorophenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123781886
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123889472
2-(2-methylphenyl)-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161369882
2-[2-(difluoromethyl)-4-fluorophenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161481808
3-Pyridin-2-yl-2-(1,3-thiazol-2-ylamino)benzoic acid
CID 176145471
2-[[3-Hydroxy-1-oxo-2-(1,3-thiazol-2-yl)isoquinolin-4-yl]methylideneamino]benzoate
CID 2390138
2-[[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate
CID 5060501
2-[[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoic acid
CID 5060502

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine?
The IUPAC name of 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine (CID 123976011) is 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine.
What is the SMILES notation for 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine?
The canonical SMILES for 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine is Cc1ccccc1C1=Nc2c(cccc2C(=O)O)C1.Nc1nccs1.
What is the InChIKey of 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine?
The InChIKey is FSBJIHYMUZAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2.C3H4N2S/c1-10-5-2-3-7-12(10)14-9-11-6-4-8-13(16(18)19)15(11)17-14;4-3-5-1-2-6-3/h2-8H,9H2,1H3,(H,18,19);1-2H,(H2,4,5).
What are the key properties of 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine?
2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine has a molecular weight of 351.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine is sourced from PubChem (CID 123976011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).