methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

C15H16N2O2S — CID 107856348

IUPACmethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2Cc3ccccc3C2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-9-13(14(18)19-2)20-15(16-9)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyUBAHSTNPEXZGOE-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 107856348) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID107856348
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2Cc3ccccc3C2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-9-13(14(18)19-2)20-15(16-9)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyUBAHSTNPEXZGOE-UHFFFAOYSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-carbamoylcyclobutyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154772076
methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573187
methyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569197
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569907
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916372
methyl 2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 52532688
2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
CID 90648353
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 107856348) is methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2Cc3ccccc3C2)nc1C.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UBAHSTNPEXZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-13(14(18)19-2)20-15(16-9)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 107856348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).