N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide

C20H19FN2O2S — CID 39996407

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1F
InChIInChI=1S/C20H19FN2O2S/c1-13-22-18(15-7-5-4-6-8-15)19(26-13)20(24)23(2)12-14-9-10-17(25-3)16(21)11-14/h4-11H,12H2,1-3H3
InChIKeyIUBCQUIZXHILOW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.54
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39996407) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39996407
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1F
InChIInChI=1S/C20H19FN2O2S/c1-13-22-18(15-7-5-4-6-8-15)19(26-13)20(24)23(2)12-14-9-10-17(25-3)16(21)11-14/h4-11H,12H2,1-3H3
InChIKeyIUBCQUIZXHILOW-UHFFFAOYSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 39996407) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IUBCQUIZXHILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-22-18(15-7-5-4-6-8-15)19(26-13)20(24)23(2)12-14-9-10-17(25-3)16(21)11-14/h4-11H,12H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39996407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).