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

C16H16FN5OS — CID 122444948

IUPAC2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2nc(N)nc3c(F)cccc23)cs1
InChIInChI=1S/C16H16FN5OS/c1-8(2)15-20-9(7-24-15)6-19-14(23)13-10-4-3-5-11(17)12(10)21-16(18)22-13/h3-5,7-8H,6H2,1-2H3,(H,19,23)(H2,18,21,22)
InChIKeyWNUOFCWJTGUYOS-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.86
Rot. Bonds4

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

2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide (PubChem CID 122444948) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide
PubChem CID122444948
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2nc(N)nc3c(F)cccc23)cs1
InChIInChI=1S/C16H16FN5OS/c1-8(2)15-20-9(7-24-15)6-19-14(23)13-10-4-3-5-11(17)12(10)21-16(18)22-13/h3-5,7-8H,6H2,1-2H3,(H,19,23)(H2,18,21,22)
InChIKeyWNUOFCWJTGUYOS-UHFFFAOYSA-N
XLogP2.86
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide (CID 122444948) is 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide is CC(C)c1nc(CNC(=O)c2nc(N)nc3c(F)cccc23)cs1.
What is the InChIKey of 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide?
The InChIKey is WNUOFCWJTGUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-8(2)15-20-9(7-24-15)6-19-14(23)13-10-4-3-5-11(17)12(10)21-16(18)22-13/h3-5,7-8H,6H2,1-2H3,(H,19,23)(H2,18,21,22).
What are the key properties of 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).