5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C14H11F2N5OS — CID 58464924

IUPAC5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C14H11F2N5OS/c1-21-6-7(5-18-21)19-13(22)11-12(17)23-14(20-11)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3,(H,19,22)
InChIKeyNJUKVCLHVLPDAP-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.66
Rot. Bonds3

About 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 58464924) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID58464924
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C14H11F2N5OS/c1-21-6-7(5-18-21)19-13(22)11-12(17)23-14(20-11)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3,(H,19,22)
InChIKeyNJUKVCLHVLPDAP-UHFFFAOYSA-N
XLogP2.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 58464924) is 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NJUKVCLHVLPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c1-21-6-7(5-18-21)19-13(22)11-12(17)23-14(20-11)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3,(H,19,22).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).