N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

C24H26FN5O3S — CID 71104863

IUPACN-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)ccc1F
InChIInChI=1S/C24H26FN5O3S/c25-18-4-3-16(11-19(18)27-22(31)14-29-7-9-33-10-8-29)23-28-21(15-34-23)17-12-20(26-13-17)24(32)30-5-1-2-6-30/h3-4,11-13,15,26H,1-2,5-10,14H2,(H,27,31)
InChIKeyVDGPKFYCFNMMBE-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.45
Rot. Bonds6

About N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 71104863) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID71104863
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC NameN-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)ccc1F
InChIInChI=1S/C24H26FN5O3S/c25-18-4-3-16(11-19(18)27-22(31)14-29-7-9-33-10-8-29)23-28-21(15-34-23)17-12-20(26-13-17)24(32)30-5-1-2-6-30/h3-4,11-13,15,26H,1-2,5-10,14H2,(H,27,31)
InChIKeyVDGPKFYCFNMMBE-UHFFFAOYSA-N
XLogP3.45
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
CID 71104862
4-[2-[4-methoxy-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 71137236
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
[4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 24512255
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
1-[[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]anilino]methyl]cyclopropane-1-carbaldehyde
CID 123970828
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160160
[4-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 25441563
[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751
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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of 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) is N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is VDGPKFYCFNMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c25-18-4-3-16(11-19(18)27-22(31)14-29-7-9-33-10-8-29)23-28-21(15-34-23)17-12-20(26-13-17)24(32)30-5-1-2-6-30/h3-4,11-13,15,26H,1-2,5-10,14H2,(H,27,31).
What are the key properties of N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 483.57 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 71104863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).