1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide

C15H14N2O4S2 — CID 160595335

IUPAC1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
SMILESCC(C)c1csc(C(=O)c2c[nH]c3ccccc23)n1.O=S(=O)=O
InChIInChI=1S/C15H14N2OS.O3S/c1-9(2)13-8-19-15(17-13)14(18)11-7-16-12-6-4-3-5-10(11)12;1-4(2)3/h3-9,16H,1-2H3;
InChIKeyRDOBLNWPWRFJOP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.97
Rot. Bonds3

About 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide

1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide (PubChem CID 160595335) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide.

Molecular Properties

Compound Name1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
PubChem CID160595335
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
SMILESCC(C)c1csc(C(=O)c2c[nH]c3ccccc23)n1.O=S(=O)=O
InChIInChI=1S/C15H14N2OS.O3S/c1-9(2)13-8-19-15(17-13)14(18)11-7-16-12-6-4-3-5-10(11)12;1-4(2)3/h3-9,16H,1-2H3;
InChIKeyRDOBLNWPWRFJOP-UHFFFAOYSA-N
XLogP2.97
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 60679000
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
[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
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
CID 160579976

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide?
The IUPAC name of 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide (CID 160595335) is 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide.
What is the SMILES notation for 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide?
The canonical SMILES for 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide is CC(C)c1csc(C(=O)c2c[nH]c3ccccc23)n1.O=S(=O)=O.
What is the InChIKey of 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide?
The InChIKey is RDOBLNWPWRFJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.O3S/c1-9(2)13-8-19-15(17-13)14(18)11-7-16-12-6-4-3-5-10(11)12;1-4(2)3/h3-9,16H,1-2H3;.
What are the key properties of 1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide?
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide has a molecular weight of 350.42 g/mol, XLogP of 2.97, 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-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide is sourced from PubChem (CID 160595335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).