N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide

C23H25N5O3S — CID 71104862

IUPACN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1)N1CCOCC1
InChIInChI=1S/C23H25N5O3S/c29-22(27-6-1-2-7-27)19-13-17(14-24-19)20-15-32-21(26-20)16-4-3-5-18(12-16)25-23(30)28-8-10-31-11-9-28/h3-5,12-15,24H,1-2,6-11H2,(H,25,30)
InChIKeyJEIFDPXNJUMKDH-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.91
Rot. Bonds4

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

N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide (PubChem CID 71104862) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
PubChem CID71104862
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1)N1CCOCC1
InChIInChI=1S/C23H25N5O3S/c29-22(27-6-1-2-7-27)19-13-17(14-24-19)20-15-32-21(26-20)16-4-3-5-18(12-16)25-23(30)28-8-10-31-11-9-28/h3-5,12-15,24H,1-2,6-11H2,(H,25,30)
InChIKeyJEIFDPXNJUMKDH-UHFFFAOYSA-N
XLogP3.91
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 24512255
1-[[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]anilino]methyl]cyclopropane-1-carbaldehyde
CID 123970828
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
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
[4-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 25441563
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751
4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 16780334
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 112723241
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 126571913

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide (CID 71104862) is N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is JEIFDPXNJUMKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c29-22(27-6-1-2-7-27)19-13-17(14-24-19)20-15-32-21(26-20)16-4-3-5-18(12-16)25-23(30)28-8-10-31-11-9-28/h3-5,12-15,24H,1-2,6-11H2,(H,25,30).
What are the key properties of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide?
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 71104862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).