2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

C19H15FN6OS — CID 122445011

IUPAC2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCc1csc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)n1
InChIInChI=1S/C19H15FN6OS/c1-10-9-28-18(23-10)14-7-2-4-11(24-14)8-22-17(27)16-12-5-3-6-13(20)15(12)25-19(21)26-16/h2-7,9H,8H2,1H3,(H,22,27)(H2,21,25,26)
InChIKeyHFARZORBEKNBCJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 122445011) has the molecular formula C19H15FN6OS and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID122445011
Molecular FormulaC19H15FN6OS
Molecular Weight394.44 g/mol
Exact Mass394.10
IUPAC Name2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCc1csc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)n1
InChIInChI=1S/C19H15FN6OS/c1-10-9-28-18(23-10)14-7-2-4-11(24-14)8-22-17(27)16-12-5-3-6-13(20)15(12)25-19(21)26-16/h2-7,9H,8H2,1H3,(H,22,27)(H2,21,25,26)
InChIKeyHFARZORBEKNBCJ-UHFFFAOYSA-N
XLogP3.11
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 122445011) is 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is Cc1csc(-c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)n2)n1.
What is the InChIKey of 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is HFARZORBEKNBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS/c1-10-9-28-18(23-10)14-7-2-4-11(24-14)8-22-17(27)16-12-5-3-6-13(20)15(12)25-19(21)26-16/h2-7,9H,8H2,1H3,(H,22,27)(H2,21,25,26).
What are the key properties of 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[[6-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122445011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).