1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane

C18H17N3O2S — CID 142609230

IUPAC1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
SMILESCCC.O=C(c1nc(-c2ncco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H9N3O2S.C3H8/c19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;1-3-2/h1-8,17H;3H2,1-2H3
InChIKeyRGVFDYYEURDHOG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.93
Rot. Bonds3

About 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane

1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane (PubChem CID 142609230) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane.

Molecular Properties

Compound Name1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
PubChem CID142609230
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
SMILESCCC.O=C(c1nc(-c2ncco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H9N3O2S.C3H8/c19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;1-3-2/h1-8,17H;3H2,1-2H3
InChIKeyRGVFDYYEURDHOG-UHFFFAOYSA-N
XLogP4.93
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-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;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
CID 159048162
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(1,3-thiazol-2-yl)methanone
CID 69252541
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
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]-trimethylazanium
CID 156515501
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane?
The IUPAC name of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane (CID 142609230) is 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane.
What is the SMILES notation for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane?
The canonical SMILES for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane is CCC.O=C(c1nc(-c2ncco2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane?
The InChIKey is RGVFDYYEURDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S.C3H8/c19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;1-3-2/h1-8,17H;3H2,1-2H3.
What are the key properties of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane?
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane has a molecular weight of 339.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane is sourced from PubChem (CID 142609230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).