N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C14H9FN4O2S2 — CID 56792667

IUPACN-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1
InChIInChI=1S/C14H9FN4O2S2/c15-8-4-2-1-3-7(8)13-17-5-10(23-13)12(21)19-14-18-9(6-22-14)11(16)20/h1-6H,(H2,16,20)(H,18,19,21)
InChIKeyZSMIWARYQHVGSJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.76
Rot. Bonds4

About N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 56792667) has the molecular formula C14H9FN4O2S2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID56792667
Molecular FormulaC14H9FN4O2S2
Molecular Weight348.38 g/mol
Exact Mass348.02
IUPAC NameN-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1
InChIInChI=1S/C14H9FN4O2S2/c15-8-4-2-1-3-7(8)13-17-5-10(23-13)12(21)19-14-18-9(6-22-14)11(16)20/h1-6H,(H2,16,20)(H,18,19,21)
InChIKeyZSMIWARYQHVGSJ-UHFFFAOYSA-N
XLogP2.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 56792667) is N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1.
What is the InChIKey of N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZSMIWARYQHVGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2S2/c15-8-4-2-1-3-7(8)13-17-5-10(23-13)12(21)19-14-18-9(6-22-14)11(16)20/h1-6H,(H2,16,20)(H,18,19,21).
What are the key properties of N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56792667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).