N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide

C18H19N3O2S — CID 51498450

IUPACN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide
SMILESCC(C)[C@H](NC(=O)COc1ncnc2ccccc12)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-12(2)17(15-8-5-9-24-15)21-16(22)10-23-18-13-6-3-4-7-14(13)19-11-20-18/h3-9,11-12,17H,10H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyRYXWDAGVNPAYLW-KRWDZBQOSA-N
MW341.44 g/mol
LogP3.58
Rot. Bonds6

About N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide (PubChem CID 51498450) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide
PubChem CID51498450
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide
SMILESCC(C)[C@H](NC(=O)COc1ncnc2ccccc12)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-12(2)17(15-8-5-9-24-15)21-16(22)10-23-18-13-6-3-4-7-14(13)19-11-20-18/h3-9,11-12,17H,10H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyRYXWDAGVNPAYLW-KRWDZBQOSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide (CID 51498450) is N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide is CC(C)[C@H](NC(=O)COc1ncnc2ccccc12)c1cccs1.
What is the InChIKey of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is RYXWDAGVNPAYLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)17(15-8-5-9-24-15)21-16(22)10-23-18-13-6-3-4-7-14(13)19-11-20-18/h3-9,11-12,17H,10H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide?
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 51498450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).