2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C15H17FN2O2S — CID 46066843

IUPAC2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)C)cs2)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-9(2)7-17-14(19)13-8-21-15(18-13)11-5-4-10(20-3)6-12(11)16/h4-6,8-9H,7H2,1-3H3,(H,17,19)
InChIKeyXLBPESCNENSENP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066843) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID46066843
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)C)cs2)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-9(2)7-17-14(19)13-8-21-15(18-13)11-5-4-10(20-3)6-12(11)16/h4-6,8-9H,7H2,1-3H3,(H,17,19)
InChIKeyXLBPESCNENSENP-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032
2-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 46067033
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067105
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066918

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 46066843) is 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC(C)C)cs2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XLBPESCNENSENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9(2)7-17-14(19)13-8-21-15(18-13)11-5-4-10(20-3)6-12(11)16/h4-6,8-9H,7H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).