2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H11FN4O3S — CID 137342477

IUPAC2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1nc(NCCc2nc(C(=O)O)cs2)ncc1F
InChIInChI=1S/C11H11FN4O3S/c1-19-9-6(12)4-14-11(16-9)13-3-2-8-15-7(5-20-8)10(17)18/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyOUHGDVJOLGTNTF-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 137342477) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID137342477
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC Name2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1nc(NCCc2nc(C(=O)O)cs2)ncc1F
InChIInChI=1S/C11H11FN4O3S/c1-19-9-6(12)4-14-11(16-9)13-3-2-8-15-7(5-20-8)10(17)18/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyOUHGDVJOLGTNTF-UHFFFAOYSA-N
XLogP1.43
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049
2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
5-fluoro-4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-2-amine
CID 137340626
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
2-[2-[(2-methoxy-2-methylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114105269
2-[2-(2-methylpropoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373321
2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374330

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 137342477) is 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is COc1nc(NCCc2nc(C(=O)O)cs2)ncc1F.
What is the InChIKey of 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OUHGDVJOLGTNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c1-19-9-6(12)4-14-11(16-9)13-3-2-8-15-7(5-20-8)10(17)18/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 137342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).