3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide

C20H14FN5OS — CID 165129066

IUPAC3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide
SMILESNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1-c1nccs1
InChIInChI=1S/C20H14FN5OS/c21-14-4-1-3-12(9-14)13-10-24-20(25-11-13)26-16-6-2-5-15(18(22)27)17(16)19-23-7-8-28-19/h1-11H,(H2,22,27)(H,24,25,26)
InChIKeyLXDWIGKOMRHEIP-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.25
Rot. Bonds5

About 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide (PubChem CID 165129066) has the molecular formula C20H14FN5OS and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide
PubChem CID165129066
Molecular FormulaC20H14FN5OS
Molecular Weight391.43 g/mol
Exact Mass391.09
IUPAC Name3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide
SMILESNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1-c1nccs1
InChIInChI=1S/C20H14FN5OS/c21-14-4-1-3-12(9-14)13-10-24-20(25-11-13)26-16-6-2-5-15(18(22)27)17(16)19-23-7-8-28-19/h1-11H,(H2,22,27)(H,24,25,26)
InChIKeyLXDWIGKOMRHEIP-UHFFFAOYSA-N
XLogP4.25
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide (CID 165129066) is 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide is NC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1-c1nccs1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LXDWIGKOMRHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5OS/c21-14-4-1-3-12(9-14)13-10-24-20(25-11-13)26-16-6-2-5-15(18(22)27)17(16)19-23-7-8-28-19/h1-11H,(H2,22,27)(H,24,25,26).
What are the key properties of 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide?
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 165129066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).