N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide

C24H26N4O3S — CID 155037479

IUPACN-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C4=CCCOC4)c3)cs2)c1
InChIInChI=1S/C24H26N4O3S/c1-16(2)28-9-8-19(13-28)23(30)25-12-22(29)27-24-26-21(15-32-24)18-6-3-5-17(11-18)20-7-4-10-31-14-20/h3,5-9,11,13,15-16H,4,10,12,14H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyDHSQNEALOCKPJB-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.36
Rot. Bonds7

About N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide

N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 155037479) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID155037479
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C4=CCCOC4)c3)cs2)c1
InChIInChI=1S/C24H26N4O3S/c1-16(2)28-9-8-19(13-28)23(30)25-12-22(29)27-24-26-21(15-32-24)18-6-3-5-17(11-18)20-7-4-10-31-14-20/h3,5-9,11,13,15-16H,4,10,12,14H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyDHSQNEALOCKPJB-UHFFFAOYSA-N
XLogP4.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide with MolForge

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Related Compounds

N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
N-[2-[[4-[3-(4-hydroxyoxan-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154669859
1-(2-aminoethyl)-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669257
1-methyl-N-[2-oxo-2-[[4-[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154668170
1-tert-butyl-N-[2-[[4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154668412
N-[2-[[4-[3-(4-hydroxycyclohexyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
CID 154668121
3-ethyloxetane;N-[2-[[4-[3-[(E)-hept-3-en-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide;propane
CID 154669946
N-[2-[[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154667679
1-tert-butyl-N-[2-[[4-[3-[(1E,5Z,7Z)-5-methylcycloocta-1,5,7-trien-1-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 155036790
CID 154668415
CID 154668415

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide (CID 155037479) is N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide is CC(C)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C4=CCCOC4)c3)cs2)c1.
What is the InChIKey of N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is DHSQNEALOCKPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16(2)28-9-8-19(13-28)23(30)25-12-22(29)27-24-26-21(15-32-24)18-6-3-5-17(11-18)20-7-4-10-31-14-20/h3,5-9,11,13,15-16H,4,10,12,14H2,1-2H3,(H,25,30)(H,26,27,29).
What are the key properties of N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide?
N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 155037479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).