3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide

C16H12F2N4OS — CID 138588538

IUPAC3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CC(F)(F)C1
InChIInChI=1S/C16H12F2N4OS/c17-16(18)4-11(5-16)14(23)22-15-20-6-10-2-1-9(3-12(10)21-15)13-7-19-8-24-13/h1-3,6-8,11H,4-5H2,(H,20,21,22,23)
InChIKeyHRGULDGLFDPDAM-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.74
Rot. Bonds3

About 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide

3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide (PubChem CID 138588538) has the molecular formula C16H12F2N4OS and a molecular weight of 346.36 g/mol. Its IUPAC name is 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide
PubChem CID138588538
Molecular FormulaC16H12F2N4OS
Molecular Weight346.36 g/mol
Exact Mass346.07
IUPAC Name3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CC(F)(F)C1
InChIInChI=1S/C16H12F2N4OS/c17-16(18)4-11(5-16)14(23)22-15-20-6-10-2-1-9(3-12(10)21-15)13-7-19-8-24-13/h1-3,6-8,11H,4-5H2,(H,20,21,22,23)
InChIKeyHRGULDGLFDPDAM-UHFFFAOYSA-N
XLogP3.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide (CID 138588538) is 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide is O=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide?
The InChIKey is HRGULDGLFDPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4OS/c17-16(18)4-11(5-16)14(23)22-15-20-6-10-2-1-9(3-12(10)21-15)13-7-19-8-24-13/h1-3,6-8,11H,4-5H2,(H,20,21,22,23).
What are the key properties of 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138588538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).