N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide

C25H30FN5O3S — CID 121306586

IUPACN-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(-c2csc(-c3ccc(F)c(NC(=O)CN4CCOCC4)c3)n2)c[nH]1
InChIInChI=1S/C25H30FN5O3S/c1-3-7-31(4-2)25(33)21-13-18(14-27-21)22-16-35-24(29-22)17-5-6-19(26)20(12-17)28-23(32)15-30-8-10-34-11-9-30/h5-6,12-14,16,27H,3-4,7-11,15H2,1-2H3,(H,28,32)
InChIKeyIFTWIAAZZOEEDJ-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.09
Rot. Bonds9

About N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide

N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 121306586) has the molecular formula C25H30FN5O3S and a molecular weight of 499.61 g/mol. Its IUPAC name is N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID121306586
Molecular FormulaC25H30FN5O3S
Molecular Weight499.61 g/mol
Exact Mass499.21
IUPAC NameN-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(-c2csc(-c3ccc(F)c(NC(=O)CN4CCOCC4)c3)n2)c[nH]1
InChIInChI=1S/C25H30FN5O3S/c1-3-7-31(4-2)25(33)21-13-18(14-27-21)22-16-35-24(29-22)17-5-6-19(26)20(12-17)28-23(32)15-30-8-10-34-11-9-30/h5-6,12-14,16,27H,3-4,7-11,15H2,1-2H3,(H,28,32)
InChIKeyIFTWIAAZZOEEDJ-UHFFFAOYSA-N
XLogP4.09
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 71104863
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
4-[2-[4-methoxy-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 71137236
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160160
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
CID 71104862
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53131994
N-[3-methoxy-6-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]hepta-1,3,5-trien-2-yl]-2-morpholin-4-ylacetamide
CID 123793221
4-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 114896294
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide (CID 121306586) is N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide is CCCN(CC)C(=O)c1cc(-c2csc(-c3ccc(F)c(NC(=O)CN4CCOCC4)c3)n2)c[nH]1.
What is the InChIKey of N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is IFTWIAAZZOEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3S/c1-3-7-31(4-2)25(33)21-13-18(14-27-21)22-16-35-24(29-22)17-5-6-19(26)20(12-17)28-23(32)15-30-8-10-34-11-9-30/h5-6,12-14,16,27H,3-4,7-11,15H2,1-2H3,(H,28,32).
What are the key properties of N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide?
N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 121306586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).