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

C14H9F2N5OS — CID 90643545

IUPAC2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(F)ccc1F
InChIInChI=1S/C14H9F2N5OS/c15-6-1-2-8(16)7(5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)
InChIKeyDJULSRMGLSGPAV-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.23
Rot. Bonds3

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

2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 90643545) has the molecular formula C14H9F2N5OS and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID90643545
Molecular FormulaC14H9F2N5OS
Molecular Weight333.32 g/mol
Exact Mass333.05
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(F)ccc1F
InChIInChI=1S/C14H9F2N5OS/c15-6-1-2-8(16)7(5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)
InChIKeyDJULSRMGLSGPAV-UHFFFAOYSA-N
XLogP2.23
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.23
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-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide (CID 90643545) is 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(F)ccc1F.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DJULSRMGLSGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5OS/c15-6-1-2-8(16)7(5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
2-(2-aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 2.23, 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-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90643545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).