methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate

C10H12N4O2S — CID 103545450

IUPACmethyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CCc2nccs2)c1N
InChIInChI=1S/C10H12N4O2S/c1-16-10(15)8-9(11)14(6-13-8)4-2-7-12-3-5-17-7/h3,5-6H,2,4,11H2,1H3
InChIKeyMCJIWVJYHWBNAL-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.95
Rot. Bonds4

About methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate

methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate (PubChem CID 103545450) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
PubChem CID103545450
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Namemethyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CCc2nccs2)c1N
InChIInChI=1S/C10H12N4O2S/c1-16-10(15)8-9(11)14(6-13-8)4-2-7-12-3-5-17-7/h3,5-6H,2,4,11H2,1H3
InChIKeyMCJIWVJYHWBNAL-UHFFFAOYSA-N
XLogP0.95
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 63240207
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587
methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 5-amino-1-[3-(tert-butylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 103546039
methyl 5-amino-1-[2-(2,2-difluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114128436
methyl 5-amino-1-[2-(3-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544802
methyl 5-amino-1-(2,3-dimethylbutyl)imidazole-4-carboxylate
CID 103545613
methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
CID 103546094
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
CID 55102206
ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824460

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate (CID 103545450) is methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate is COC(=O)c1ncn(CCc2nccs2)c1N.
What is the InChIKey of methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is MCJIWVJYHWBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-16-10(15)8-9(11)14(6-13-8)4-2-7-12-3-5-17-7/h3,5-6H,2,4,11H2,1H3.
What are the key properties of methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 252.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).