methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

C14H21N3O2S — CID 80569907

IUPACmethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCN3CCCCC23)nc1C
InChIInChI=1S/C14H21N3O2S/c1-9-12(13(18)19-2)20-14(15-9)16-10-6-8-17-7-4-3-5-11(10)17/h10-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMSIBPDXWMBHWPB-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569907) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569907
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCN3CCCCC23)nc1C
InChIInChI=1S/C14H21N3O2S/c1-9-12(13(18)19-2)20-14(15-9)16-10-6-8-17-7-4-3-5-11(10)17/h10-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMSIBPDXWMBHWPB-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569926
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916372
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 80568379
methyl 2-[(3-carbamoylcyclobutyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154772076
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348
methyl 4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 114516930
methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 55523071
methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80570343
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573187
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570620

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 80569907) is methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCN3CCCCC23)nc1C.
What is the InChIKey of methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MSIBPDXWMBHWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-12(13(18)19-2)20-14(15-9)16-10-6-8-17-7-4-3-5-11(10)17/h10-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 295.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).