N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H20FN3O3S — CID 89313211

IUPACN-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESC/C(F)=C\C=C(/C)CCNC(=O)c1sc(-n2ccc(O)cc2=O)nc1C
InChIInChI=1S/C18H20FN3O3S/c1-11(4-5-12(2)19)6-8-20-17(25)16-13(3)21-18(26-16)22-9-7-14(23)10-15(22)24/h4-5,7,9-10,23H,6,8H2,1-3H3,(H,20,25)/b11-4+,12-5+
InChIKeyFQQWJVHPCJRAGH-JLYPQOKGSA-N
MW377.44 g/mol
LogP3.25
Rot. Bonds6

About N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 89313211) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID89313211
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESC/C(F)=C\C=C(/C)CCNC(=O)c1sc(-n2ccc(O)cc2=O)nc1C
InChIInChI=1S/C18H20FN3O3S/c1-11(4-5-12(2)19)6-8-20-17(25)16-13(3)21-18(26-16)22-9-7-14(23)10-15(22)24/h4-5,7,9-10,23H,6,8H2,1-3H3,(H,20,25)/b11-4+,12-5+
InChIKeyFQQWJVHPCJRAGH-JLYPQOKGSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 54742342
4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
CID 159389726
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
1-[5-(cyclopropanecarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxypyridin-2-one
CID 71148421
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121119662
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 45035351
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121120019
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121120388
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 89313211) is N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is C/C(F)=C\C=C(/C)CCNC(=O)c1sc(-n2ccc(O)cc2=O)nc1C.
What is the InChIKey of N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FQQWJVHPCJRAGH-JLYPQOKGSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-11(4-5-12(2)19)6-8-20-17(25)16-13(3)21-18(26-16)22-9-7-14(23)10-15(22)24/h4-5,7,9-10,23H,6,8H2,1-3H3,(H,20,25)/b11-4+,12-5+.
What are the key properties of N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89313211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).