2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

C16H18F2N4O2S — CID 167609669

IUPAC2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(NC2CCCC2)s1
InChIInChI=1S/C16H18F2N4O2S/c17-5-6-22-9-11(7-12(18)15(22)24)20-14(23)13-8-19-16(25-13)21-10-3-1-2-4-10/h7-10H,1-6H2,(H,19,21)(H,20,23)
InChIKeyKWBSDZXXLGWANL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.02
Rot. Bonds6

About 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 167609669) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID167609669
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(NC2CCCC2)s1
InChIInChI=1S/C16H18F2N4O2S/c17-5-6-22-9-11(7-12(18)15(22)24)20-14(23)13-8-19-16(25-13)21-10-3-1-2-4-10/h7-10H,1-6H2,(H,19,21)(H,20,23)
InChIKeyKWBSDZXXLGWANL-UHFFFAOYSA-N
XLogP3.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 167609669) is 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(NC2CCCC2)s1.
What is the InChIKey of 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KWBSDZXXLGWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c17-5-6-22-9-11(7-12(18)15(22)24)20-14(23)13-8-19-16(25-13)21-10-3-1-2-4-10/h7-10H,1-6H2,(H,19,21)(H,20,23).
What are the key properties of 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).