methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate

C13H20N2O2S — CID 64991251

IUPACmethyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC1CCCCC1)c1nccs1
InChIInChI=1S/C13H20N2O2S/c1-13(12(16)17-2,11-14-8-9-18-11)15-10-6-4-3-5-7-10/h8-10,15H,3-7H2,1-2H3
InChIKeyWUHNIGKGTJRPGI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.45
Rot. Bonds4

About methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate

methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64991251) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64991251
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC1CCCCC1)c1nccs1
InChIInChI=1S/C13H20N2O2S/c1-13(12(16)17-2,11-14-8-9-18-11)15-10-6-4-3-5-7-10/h8-10,15H,3-7H2,1-2H3
InChIKeyWUHNIGKGTJRPGI-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 64991251) is methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate is COC(=O)C(C)(NC1CCCCC1)c1nccs1.
What is the InChIKey of methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is WUHNIGKGTJRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(12(16)17-2,11-14-8-9-18-11)15-10-6-4-3-5-7-10/h8-10,15H,3-7H2,1-2H3.
What are the key properties of methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate?
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 268.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64991251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).