2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H13FN4O3S — CID 16948952

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C16H13FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h1-7,9H,8H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRYXDCYJNJGACTD-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.45
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948952) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID16948952
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C16H13FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h1-7,9H,8H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRYXDCYJNJGACTD-UHFFFAOYSA-N
XLogP3.45
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 16948952) is 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RYXDCYJNJGACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h1-7,9H,8H2,(H,18,22)(H2,19,20,21,23).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).