methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate

C10H14N2O2S — CID 75449176

IUPACmethyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CCCC1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)8-7(12-10(11)15-8)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyIECJHQIWEWZCJR-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.17
Rot. Bonds2

About methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate

methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate (PubChem CID 75449176) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
PubChem CID75449176
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CCCC1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)8-7(12-10(11)15-8)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyIECJHQIWEWZCJR-UHFFFAOYSA-N
XLogP2.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate (CID 75449176) is methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C1CCCC1.
What is the InChIKey of methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate?
The InChIKey is IECJHQIWEWZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-9(13)8-7(12-10(11)15-8)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12).
What are the key properties of methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75449176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).