2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C14H10FN5OS — CID 90643543

IUPAC2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1F
InChIInChI=1S/C14H10FN5OS/c15-8-4-2-1-3-7(8)10-11(12(16)21)22-13(20-10)9-5-6-18-14(17)19-9/h1-6H,(H2,16,21)(H2,17,18,19)
InChIKeyQXIBGYCOXZONOU-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 90643543) has the molecular formula C14H10FN5OS and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID90643543
Molecular FormulaC14H10FN5OS
Molecular Weight315.33 g/mol
Exact Mass315.06
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1F
InChIInChI=1S/C14H10FN5OS/c15-8-4-2-1-3-7(8)10-11(12(16)21)22-13(20-10)9-5-6-18-14(17)19-9/h1-6H,(H2,16,21)(H2,17,18,19)
InChIKeyQXIBGYCOXZONOU-UHFFFAOYSA-N
XLogP2.09
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 90643543) is 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1F.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QXIBGYCOXZONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5OS/c15-8-4-2-1-3-7(8)10-11(12(16)21)22-13(20-10)9-5-6-18-14(17)19-9/h1-6H,(H2,16,21)(H2,17,18,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90643543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).