methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate

C16H24N2O3S — CID 126422923

IUPACmethyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc([C@@H](C)NC(=O)[C@@H](C)CC2CCCC2)s1
InChIInChI=1S/C16H24N2O3S/c1-10(8-12-6-4-5-7-12)14(19)18-11(2)15-17-9-13(22-15)16(20)21-3/h9-12H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m0/s1
InChIKeyWJUGWCRFYZVARR-WDEREUQCSA-N
MW324.45 g/mol
LogP3.32
Rot. Bonds6

About methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate

methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 126422923) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
PubChem CID126422923
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc([C@@H](C)NC(=O)[C@@H](C)CC2CCCC2)s1
InChIInChI=1S/C16H24N2O3S/c1-10(8-12-6-4-5-7-12)14(19)18-11(2)15-17-9-13(22-15)16(20)21-3/h9-12H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m0/s1
InChIKeyWJUGWCRFYZVARR-WDEREUQCSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate (CID 126422923) is methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc([C@@H](C)NC(=O)[C@@H](C)CC2CCCC2)s1.
What is the InChIKey of methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is WJUGWCRFYZVARR-WDEREUQCSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10(8-12-6-4-5-7-12)14(19)18-11(2)15-17-9-13(22-15)16(20)21-3/h9-12H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m0/s1.
What are the key properties of methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate?
methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 126422923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).