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

C18H17FN4OS — CID 138589506

IUPAC1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1(F)CCCCC1
InChIInChI=1S/C18H17FN4OS/c19-18(6-2-1-3-7-18)16(24)23-17-21-9-13-5-4-12(8-14(13)22-17)15-10-20-11-25-15/h4-5,8-11H,1-3,6-7H2,(H,21,22,23,24)
InChIKeyBKKIITMVJSLVIP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.36
Rot. Bonds3

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

1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide (PubChem CID 138589506) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
PubChem CID138589506
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1(F)CCCCC1
InChIInChI=1S/C18H17FN4OS/c19-18(6-2-1-3-7-18)16(24)23-17-21-9-13-5-4-12(8-14(13)22-17)15-10-20-11-25-15/h4-5,8-11H,1-3,6-7H2,(H,21,22,23,24)
InChIKeyBKKIITMVJSLVIP-UHFFFAOYSA-N
XLogP4.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide (CID 138589506) is 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide is O=C(Nc1ncc2ccc(-c3cncs3)cc2n1)C1(F)CCCCC1.
What is the InChIKey of 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
The InChIKey is BKKIITMVJSLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-18(6-2-1-3-7-18)16(24)23-17-21-9-13-5-4-12(8-14(13)22-17)15-10-20-11-25-15/h4-5,8-11H,1-3,6-7H2,(H,21,22,23,24).
What are the key properties of 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide?
1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138589506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).