N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C12H20N2O3S — CID 65113563

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(6-14-9-18-7-11(14)16)13-8-12(17)4-2-1-3-5-12/h17H,1-9H2,(H,13,15)
InChIKeyNMSMXCOUIPZOBV-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.33
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 65113563) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID65113563
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(6-14-9-18-7-11(14)16)13-8-12(17)4-2-1-3-5-12/h17H,1-9H2,(H,13,15)
InChIKeyNMSMXCOUIPZOBV-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 65113563) is N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NMSMXCOUIPZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-10(6-14-9-18-7-11(14)16)13-8-12(17)4-2-1-3-5-12/h17H,1-9H2,(H,13,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 65113563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).