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

C12H8N2OS — CID 69252541

IUPAC1H-indol-3-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C12H8N2OS/c15-11(12-13-5-6-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKeyDFYPIVYFSGGXGT-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.86
Rot. Bonds2

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

1H-indol-3-yl(1,3-thiazol-2-yl)methanone (PubChem CID 69252541) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 1H-indol-3-yl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(1,3-thiazol-2-yl)methanone
PubChem CID69252541
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name1H-indol-3-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C12H8N2OS/c15-11(12-13-5-6-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKeyDFYPIVYFSGGXGT-UHFFFAOYSA-N
XLogP2.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one
CID 142648564
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70536916
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(1,3-thiazol-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl(1,3-thiazol-2-yl)methanone (CID 69252541) is 1H-indol-3-yl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl(1,3-thiazol-2-yl)methanone?
The InChIKey is DFYPIVYFSGGXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-11(12-13-5-6-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H.
What are the key properties of 1H-indol-3-yl(1,3-thiazol-2-yl)methanone?
1H-indol-3-yl(1,3-thiazol-2-yl)methanone has a molecular weight of 228.28 g/mol, XLogP of 2.86, 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(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 69252541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).