2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide

C21H19FN4O4S — CID 91159765

IUPAC2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccccc1C(=O)c1ccc(F)cc1NC(=O)Nc1nc(C(C)C(N)=O)cs1
InChIInChI=1S/C21H19FN4O4S/c1-11(19(23)28)16-10-31-21(25-16)26-20(29)24-15-9-12(22)7-8-13(15)18(27)14-5-3-4-6-17(14)30-2/h3-11H,1-2H3,(H2,23,28)(H2,24,25,26,29)
InChIKeyPLZZLQXSJNQOBO-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.75
Rot. Bonds7

About 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide

2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 91159765) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID91159765
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC Name2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccccc1C(=O)c1ccc(F)cc1NC(=O)Nc1nc(C(C)C(N)=O)cs1
InChIInChI=1S/C21H19FN4O4S/c1-11(19(23)28)16-10-31-21(25-16)26-20(29)24-15-9-12(22)7-8-13(15)18(27)14-5-3-4-6-17(14)30-2/h3-11H,1-2H3,(H2,23,28)(H2,24,25,26,29)
InChIKeyPLZZLQXSJNQOBO-UHFFFAOYSA-N
XLogP3.75
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
1-[4-[(diaminomethylideneamino)methyl]-1,3-thiazol-2-yl]-3-[2-(2-methoxybenzoyl)-4-methylphenyl]urea;2-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylcarbamoylamino]acetic acid
CID 158867574
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
CID 65432061
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
1-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-3-(2-propan-2-ylphenyl)urea
CID 46948096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide (CID 91159765) is 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide is COc1ccccc1C(=O)c1ccc(F)cc1NC(=O)Nc1nc(C(C)C(N)=O)cs1.
What is the InChIKey of 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is PLZZLQXSJNQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-11(19(23)28)16-10-31-21(25-16)26-20(29)24-15-9-12(22)7-8-13(15)18(27)14-5-3-4-6-17(14)30-2/h3-11H,1-2H3,(H2,23,28)(H2,24,25,26,29).
What are the key properties of 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide?
2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 442.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-fluoro-2-(2-methoxybenzoyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 91159765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).