2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H19FN2O3S — CID 55653234

IUPAC2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)ccc1O
InChIInChI=1S/C20H19FN2O3S/c1-12-19(27-18(23-12)10-13-3-6-15(21)7-4-13)20(25)22-11-14-5-8-16(24)17(9-14)26-2/h3-9,24H,10-11H2,1-2H3,(H,22,25)
InChIKeyDCUTYNCRWQNTDQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.83
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55653234) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55653234
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)ccc1O
InChIInChI=1S/C20H19FN2O3S/c1-12-19(27-18(23-12)10-13-3-6-15(21)7-4-13)20(25)22-11-14-5-8-16(24)17(9-14)26-2/h3-9,24H,10-11H2,1-2H3,(H,22,25)
InChIKeyDCUTYNCRWQNTDQ-UHFFFAOYSA-N
XLogP3.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39945126
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42568657
2-[(4-fluorophenyl)methyl]-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 86825597
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39892162
N-[2-(3-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39947640
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187590
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119521585
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192094
2-[(4-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120945101
2-[(4-fluorophenyl)methyl]-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119510084

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55653234) is 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)ccc1O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DCUTYNCRWQNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-19(27-18(23-12)10-13-3-6-15(21)7-4-13)20(25)22-11-14-5-8-16(24)17(9-14)26-2/h3-9,24H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55653234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).