1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C24H25ClN4O3S — CID 60560364

IUPAC1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C24H25ClN4O3S/c25-17-6-8-20(9-7-17)32-14-23-28-19(15-33-23)12-22(30)27-18-4-1-3-16(11-18)13-29-10-2-5-21(29)24(26)31/h1,3-4,6-9,11,15,21H,2,5,10,12-14H2,(H2,26,31)(H,27,30)
InChIKeyZOCVLRBAXLCCQF-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.01
Rot. Bonds9

About 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60560364) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID60560364
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C24H25ClN4O3S/c25-17-6-8-20(9-7-17)32-14-23-28-19(15-33-23)12-22(30)27-18-4-1-3-16(11-18)13-29-10-2-5-21(29)24(26)31/h1,3-4,6-9,11,15,21H,2,5,10,12-14H2,(H2,26,31)(H,27,30)
InChIKeyZOCVLRBAXLCCQF-UHFFFAOYSA-N
XLogP4.01
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617224
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
1-[[3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560302
1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55983837
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
1-[[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985756
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide
CID 55701045
N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386648
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 60560364) is 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZOCVLRBAXLCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c25-17-6-8-20(9-7-17)32-14-23-28-19(15-33-23)12-22(30)27-18-4-1-3-16(11-18)13-29-10-2-5-21(29)24(26)31/h1,3-4,6-9,11,15,21H,2,5,10,12-14H2,(H2,26,31)(H,27,30).
What are the key properties of 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60560364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).