1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone

C15H10N4O2S — CID 148782007

IUPAC1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
SMILESCc1noc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C15H10N4O2S/c1-8-17-14(21-19-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11/h2-7,16H,1H3
InChIKeyOKMIVTLOHKGCFW-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.21
Rot. Bonds3

About 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone

1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone (PubChem CID 148782007) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
PubChem CID148782007
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
SMILESCc1noc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1
InChIInChI=1S/C15H10N4O2S/c1-8-17-14(21-19-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11/h2-7,16H,1H3
InChIKeyOKMIVTLOHKGCFW-UHFFFAOYSA-N
XLogP3.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone
CID 163555906
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
CID 53167416
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 30656820
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 160547788

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone (CID 148782007) is 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone is Cc1noc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.
What is the InChIKey of 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone?
The InChIKey is OKMIVTLOHKGCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c1-8-17-14(21-19-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11/h2-7,16H,1H3.
What are the key properties of 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone?
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone has a molecular weight of 310.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 148782007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).