2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine

C17H18F2N4OS — CID 133337716

IUPAC2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
SMILESCOC(C)c1nc(CN(C)c2nc(C(F)F)nc3ccccc23)cs1
InChIInChI=1S/C17H18F2N4OS/c1-10(24-3)17-20-11(9-25-17)8-23(2)16-12-6-4-5-7-13(12)21-15(22-16)14(18)19/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWIEGQLFWJPAODX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.37
Rot. Bonds6

About 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine

2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine (PubChem CID 133337716) has the molecular formula C17H18F2N4OS and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
PubChem CID133337716
Molecular FormulaC17H18F2N4OS
Molecular Weight364.42 g/mol
Exact Mass364.12
IUPAC Name2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
SMILESCOC(C)c1nc(CN(C)c2nc(C(F)F)nc3ccccc23)cs1
InChIInChI=1S/C17H18F2N4OS/c1-10(24-3)17-20-11(9-25-17)8-23(2)16-12-6-4-5-7-13(12)21-15(22-16)14(18)19/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWIEGQLFWJPAODX-UHFFFAOYSA-N
XLogP4.37
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine (CID 133337716) is 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine is COC(C)c1nc(CN(C)c2nc(C(F)F)nc3ccccc23)cs1.
What is the InChIKey of 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine?
The InChIKey is WIEGQLFWJPAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4OS/c1-10(24-3)17-20-11(9-25-17)8-23(2)16-12-6-4-5-7-13(12)21-15(22-16)14(18)19/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine?
2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine has a molecular weight of 364.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 133337716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).