2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride

C14H9ClN2O2S — CID 156505409

IUPAC2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)Cl
InChIInChI=1S/C14H9ClN2O2S/c1-7-11(13(15)19)17-14(20-7)12(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,1H3
InChIKeyYMGHJNVBGYIXAN-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.54
Rot. Bonds3

About 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride

2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride (PubChem CID 156505409) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
PubChem CID156505409
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)Cl
InChIInChI=1S/C14H9ClN2O2S/c1-7-11(13(15)19)17-14(20-7)12(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,1H3
InChIKeyYMGHJNVBGYIXAN-UHFFFAOYSA-N
XLogP3.54
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
CID 159302887
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethane
CID 156795825
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride?
The IUPAC name of 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride (CID 156505409) is 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride.
What is the SMILES notation for 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride?
The canonical SMILES for 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride is Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)Cl.
What is the InChIKey of 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride?
The InChIKey is YMGHJNVBGYIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c1-7-11(13(15)19)17-14(20-7)12(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,1H3.
What are the key properties of 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride?
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride has a molecular weight of 304.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride is sourced from PubChem (CID 156505409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).