2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid

C18H22N2O3S2 — CID 2738297

IUPAC2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2csc(-c3cccs3)n2)CCCCC1
InChIInChI=1S/C18H22N2O3S2/c21-15(9-18(10-16(22)23)6-2-1-3-7-18)19-11-13-12-25-17(20-13)14-5-4-8-24-14/h4-5,8,12H,1-3,6-7,9-11H2,(H,19,21)(H,22,23)
InChIKeyLSYXYZHZNKLCHQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.30
Rot. Bonds7

About 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid (PubChem CID 2738297) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid
PubChem CID2738297
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2csc(-c3cccs3)n2)CCCCC1
InChIInChI=1S/C18H22N2O3S2/c21-15(9-18(10-16(22)23)6-2-1-3-7-18)19-11-13-12-25-17(20-13)14-5-4-8-24-14/h4-5,8,12H,1-3,6-7,9-11H2,(H,19,21)(H,22,23)
InChIKeyLSYXYZHZNKLCHQ-UHFFFAOYSA-N
XLogP4.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid (CID 2738297) is 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCc2csc(-c3cccs3)n2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid?
The InChIKey is LSYXYZHZNKLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-15(9-18(10-16(22)23)6-2-1-3-7-18)19-11-13-12-25-17(20-13)14-5-4-8-24-14/h4-5,8,12H,1-3,6-7,9-11H2,(H,19,21)(H,22,23).
What are the key properties of 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid has a molecular weight of 378.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).