[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

C64H48N12O10S6 — CID 158133004

IUPAC[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.COC(=O)C1CSC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.O=C(c1nc(C2=NCCO2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(C2=NCCS2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13N3O4S.C17H13N3O3S2.C15H11N3O2S.C15H11N3OS2/c1-23-17(22)12-7-24-15(19-12)13-8-25-16(20-13)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;2*19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14/h2-6,8,12,18H,7H2,1H3;2-7,13,18H,8H2,1H3;2*1-4,7-8,17H,5-6H2
InChIKeyFSZWSEQTMMXJTH-UHFFFAOYSA-N
MW1337.56 g/mol
LogP11.05
Rot. Bonds14

About [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 158133004) has the molecular formula C64H48N12O10S6 and a molecular weight of 1337.56 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID158133004
Molecular FormulaC64H48N12O10S6
Molecular Weight1337.56 g/mol
Exact Mass1336.19
IUPAC Name[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.COC(=O)C1CSC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.O=C(c1nc(C2=NCCO2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(C2=NCCS2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13N3O4S.C17H13N3O3S2.C15H11N3O2S.C15H11N3OS2/c1-23-17(22)12-7-24-15(19-12)13-8-25-16(20-13)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;2*19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14/h2-6,8,12,18H,7H2,1H3;2-7,13,18H,8H2,1H3;2*1-4,7-8,17H,5-6H2
InChIKeyFSZWSEQTMMXJTH-UHFFFAOYSA-N
XLogP11.05
TPSA303.50 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.56
LogP ≤ 511.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
ethyl 4-[[(E,2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-7-methoxy-1,7-dioxohept-5-en-2-yl]carbamoyl]-1,3-thiazole-2-carboxylate
CID 171343694
Lactocillin
CID 102335933
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
[(1R)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] acetate
CID 155213713
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl acetate
CID 155213716
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(dimethylamino)butanoate
CID 155213732
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-(dimethylamino)butanoate
CID 155213734
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(4-piperidin-1-ylpiperidin-1-yl)butanoate
CID 155213764
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-(4-piperidin-1-ylpiperidin-1-yl)butanoate
CID 155213767
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 2-morpholin-4-ylacetate
CID 155213851
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 2-morpholin-4-ylacetate
CID 155213853

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 158133004) is [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.COC(=O)C1CSC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.O=C(c1nc(C2=NCCO2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(C2=NCCS2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is FSZWSEQTMMXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S.C17H13N3O3S2.C15H11N3O2S.C15H11N3OS2/c1-23-17(22)12-7-24-15(19-12)13-8-25-16(20-13)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;2*19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14/h2-6,8,12,18H,7H2,1H3;2-7,13,18H,8H2,1H3;2*1-4,7-8,17H,5-6H2.
What are the key properties of [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
[4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 1337.56 g/mol, XLogP of 11.05, 14 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;[4-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 158133004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).