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

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

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
(18F)Fitm
CID 53233900
N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 2105353
N-(4-(6-(ethylamino)pyrimidin-4-yl)thiazol-2-yl)-4-fluoro-N-methylbenzamide
CID 16660140
[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 71603190
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 66763564
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46225677
4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide
CID 66762830
[2-(4,6-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67116200
4-{3-[(2-Amino-thiazole-4-carbonyl)-amino]-benzylamino}-quinazoline-8-carboxylic acid amide
CID 77014393
US10138212, Example 69
CID 122445011
[2-[(3-Fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137538808

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).