N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide

C18H22N2O2S — CID 91653947

IUPACN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide
SMILESCC(C)c1csc(-c2ccc(CNC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-12(2)15-11-23-18(20-15)14-7-5-13(6-8-14)10-19-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyGYRFWYZGJAENMY-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.73
Rot. Bonds5

About N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide

N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 91653947) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID91653947
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide
SMILESCC(C)c1csc(-c2ccc(CNC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-12(2)15-11-23-18(20-15)14-7-5-13(6-8-14)10-19-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyGYRFWYZGJAENMY-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide (CID 91653947) is N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide is CC(C)c1csc(-c2ccc(CNC(=O)C3CCCO3)cc2)n1.
What is the InChIKey of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is GYRFWYZGJAENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)15-11-23-18(20-15)14-7-5-13(6-8-14)10-19-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide?
N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 91653947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).