methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate

C14H14N2O2S — CID 80573858

IUPACmethyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C14H14N2O2S/c1-16-6-5-9-7-10(3-4-11(9)16)13-15-8-12(19-13)14(17)18-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeySNULQQYFRBRENR-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.59
Rot. Bonds2

About methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate

methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80573858) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
PubChem CID80573858
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C14H14N2O2S/c1-16-6-5-9-7-10(3-4-11(9)16)13-15-8-12(19-13)14(17)18-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeySNULQQYFRBRENR-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 55035253
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62094946
[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 55035254
N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62651759
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
CID 115327986
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
methyl 12-fluoro-9-methyl-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxylate
CID 137384647
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate (CID 80573858) is methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2ccc3c(c2)CCN3C)s1.
What is the InChIKey of methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is SNULQQYFRBRENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16-6-5-9-7-10(3-4-11(9)16)13-15-8-12(19-13)14(17)18-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 274.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80573858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).