2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide

C16H19FN2O2S — CID 108788207

IUPAC2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCCCO
InChIInChI=1S/C16H19FN2O2S/c1-11-14(15(21)18-9-3-2-4-10-20)22-16(19-11)12-5-7-13(17)8-6-12/h5-8,20H,2-4,9-10H2,1H3,(H,18,21)
InChIKeyNBFZCPRYPUJHAD-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.15
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 108788207) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID108788207
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCCCO
InChIInChI=1S/C16H19FN2O2S/c1-11-14(15(21)18-9-3-2-4-10-20)22-16(19-11)12-5-7-13(17)8-6-12/h5-8,20H,2-4,9-10H2,1H3,(H,18,21)
InChIKeyNBFZCPRYPUJHAD-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.15
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

N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42536427
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24552841
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120650920
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 108788207) is 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCCCO.
What is the InChIKey of 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NBFZCPRYPUJHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-11-14(15(21)18-9-3-2-4-10-20)22-16(19-11)12-5-7-13(17)8-6-12/h5-8,20H,2-4,9-10H2,1H3,(H,18,21).
What are the key properties of 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108788207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).