1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone

C13H10N2OS — CID 146238804

IUPAC1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H10N2OS/c1-8-7-17-13(15-8)12(16)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyDNXUUYBYZBXLKA-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.16
Rot. Bonds2

About 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone

1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 146238804) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID146238804
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H10N2OS/c1-8-7-17-13(15-8)12(16)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyDNXUUYBYZBXLKA-UHFFFAOYSA-N
XLogP3.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
CID 66731461
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61381420
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone (CID 146238804) is 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is DNXUUYBYZBXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-7-17-13(15-8)12(16)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3.
What are the key properties of 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 146238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).