N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C25H27FN4O4S — CID 89109739

IUPACN-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)NC(=O)N3CCOCC3)sc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C25H27FN4O4S/c1-16-4-6-17(7-5-16)20-21(34-19-10-8-18(26)9-11-19)35-23(27-20)28-22(31)25(2,3)29-24(32)30-12-14-33-15-13-30/h4-11H,12-15H2,1-3H3,(H,29,32)(H,27,28,31)
InChIKeyNYZWSOCLQWRUAC-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.81
Rot. Bonds6

About N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 89109739) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID89109739
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC NameN-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)NC(=O)N3CCOCC3)sc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C25H27FN4O4S/c1-16-4-6-17(7-5-16)20-21(34-19-10-8-18(26)9-11-19)35-23(27-20)28-22(31)25(2,3)29-24(32)30-12-14-33-15-13-30/h4-11H,12-15H2,1-3H3,(H,29,32)(H,27,28,31)
InChIKeyNYZWSOCLQWRUAC-UHFFFAOYSA-N
XLogP4.81
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 123310159
N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 89406463
N-[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 147109705
2-[[2-[(2-cyclohexylacetyl)amino]-2-methylpropanoyl]amino]-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 44612446
2-[acetyl(pyrrolidin-2-yl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87370474
4-fluoro-N-[1-[[4-(4-fluorophenyl)-5-[methyl(oxan-4-yl)amino]-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]benzamide
CID 44612575
N-[5-(4-tert-butylphenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463424
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
tert-butyl 4-[[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]amino]-3,3-dimethyl-4-oxobutanoate;4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine
CID 159940465
N-[4-(4-fluorophenyl)-5-[4-(2-methylbutan-2-yl)phenoxy]-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463669
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
CID 134141804
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 89109739) is N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide is Cc1ccc(-c2nc(NC(=O)C(C)(C)NC(=O)N3CCOCC3)sc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is NYZWSOCLQWRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-16-4-6-17(7-5-16)20-21(34-19-10-8-18(26)9-11-19)35-23(27-20)28-22(31)25(2,3)29-24(32)30-12-14-33-15-13-30/h4-11H,12-15H2,1-3H3,(H,29,32)(H,27,28,31).
What are the key properties of N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-fluorophenoxy)-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 89109739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).