methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate

C11H12N4O2S — CID 103545102

IUPACmethyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2nc3c(s2)CCC3)c1N
InChIInChI=1S/C11H12N4O2S/c1-17-10(16)8-9(12)15(5-13-8)11-14-6-3-2-4-7(6)18-11/h5H,2-4,12H2,1H3
InChIKeyWFTBXNUUGSDMBB-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.19
Rot. Bonds2

About methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate

methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate (PubChem CID 103545102) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
PubChem CID103545102
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Namemethyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2nc3c(s2)CCC3)c1N
InChIInChI=1S/C11H12N4O2S/c1-17-10(16)8-9(12)15(5-13-8)11-14-6-3-2-4-7(6)18-11/h5H,2-4,12H2,1H3
InChIKeyWFTBXNUUGSDMBB-UHFFFAOYSA-N
XLogP1.19
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-amino-1-(2,4,5-trichlorophenyl)imidazole-4-carboxylate
CID 103544569
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426
methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251425
ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645910
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
CID 103546117
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
CID 103545225
methyl 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate
CID 115545374
methyl 5-amino-1-(5-iodo-2-methylphenyl)imidazole-4-carboxylate
CID 114257914
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate
CID 82117267
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate (CID 103545102) is methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate is COC(=O)c1ncn(-c2nc3c(s2)CCC3)c1N.
What is the InChIKey of methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is WFTBXNUUGSDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-17-10(16)8-9(12)15(5-13-8)11-14-6-3-2-4-7(6)18-11/h5H,2-4,12H2,1H3.
What are the key properties of methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate?
methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 103545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).