2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

C13H13FN2O2S — CID 78854756

IUPAC2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCO)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O2S/c14-10-4-2-9(3-5-10)13-16-11(8-19-13)12(18)15-6-1-7-17/h2-5,8,17H,1,6-7H2,(H,15,18)
InChIKeyRLZUZUFMEHMCNO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.06
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 78854756) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID78854756
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCO)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2O2S/c14-10-4-2-9(3-5-10)13-16-11(8-19-13)12(18)15-6-1-7-17/h2-5,8,17H,1,6-7H2,(H,15,18)
InChIKeyRLZUZUFMEHMCNO-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(E)-pent-3-enyl]-1,3-thiazole-4-carboxamide
CID 86952853
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 9318883
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86832956

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 78854756) is 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is O=C(NCCCO)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RLZUZUFMEHMCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-10-4-2-9(3-5-10)13-16-11(8-19-13)12(18)15-6-1-7-17/h2-5,8,17H,1,6-7H2,(H,15,18).
What are the key properties of 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78854756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).