4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C18H24N2O5S — CID 11552652

IUPAC4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(NC2CCC(O)CC2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C18H24N2O5S/c1-25-12-11-20-18(22)16(19-14-7-9-15(21)10-8-14)17(26(20,23)24)13-5-3-2-4-6-13/h2-6,14-15,19,21H,7-12H2,1H3
InChIKeyFDJMBBHMBCIBFO-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.07
Rot. Bonds6

About 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 11552652) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID11552652
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(NC2CCC(O)CC2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C18H24N2O5S/c1-25-12-11-20-18(22)16(19-14-7-9-15(21)10-8-14)17(26(20,23)24)13-5-3-2-4-6-13/h2-6,14-15,19,21H,7-12H2,1H3
InChIKeyFDJMBBHMBCIBFO-UHFFFAOYSA-N
XLogP1.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 11552652) is 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is COCCN1C(=O)C(NC2CCC(O)CC2)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is FDJMBBHMBCIBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-25-12-11-20-18(22)16(19-14-7-9-15(21)10-8-14)17(26(20,23)24)13-5-3-2-4-6-13/h2-6,14-15,19,21H,7-12H2,1H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 380.47 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 11552652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).