2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole

C13H14N2S — CID 82474601

IUPAC2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCN3)sc1C
InChIInChI=1S/C13H14N2S/c1-8-9(2)16-13(15-8)11-3-4-12-10(7-11)5-6-14-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJHYCMEQPAWDLOI-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.39
Rot. Bonds1

About 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole

2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 82474601) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID82474601
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCN3)sc1C
InChIInChI=1S/C13H14N2S/c1-8-9(2)16-13(15-8)11-3-4-12-10(7-11)5-6-14-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJHYCMEQPAWDLOI-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole
CID 43305005
6-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1,3-benzothiazole
CID 79533596
5-(2-methylthiophen-3-yl)-2,3-dihydro-1H-indole
CID 102834212
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
CID 60784272
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62722122
3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
CID 116998160
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
CID 20983466

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole (CID 82474601) is 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-c2ccc3c(c2)CCN3)sc1C.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is JHYCMEQPAWDLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-9(2)16-13(15-8)11-3-4-12-10(7-11)5-6-14-12/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole?
2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 230.34 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 82474601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).