N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

C23H21N3O3S — CID 9422328

IUPACN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C23H21N3O3S/c27-22(14-26-8-10-28-11-9-26)24-18-6-3-5-17(12-18)23-25-19(15-30-23)21-13-16-4-1-2-7-20(16)29-21/h1-7,12-13,15H,8-11,14H2,(H,24,27)
InChIKeyWKANJFPTTYRTIJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.49
Rot. Bonds5

About N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 9422328) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID9422328
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C23H21N3O3S/c27-22(14-26-8-10-28-11-9-26)24-18-6-3-5-17(12-18)23-25-19(15-30-23)21-13-16-4-1-2-7-20(16)29-21/h1-7,12-13,15H,8-11,14H2,(H,24,27)
InChIKeyWKANJFPTTYRTIJ-UHFFFAOYSA-N
XLogP4.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 161042994
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391
2-[2-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159621
N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 157411680
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 25211123
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160160
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide (CID 9422328) is N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1.
What is the InChIKey of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is WKANJFPTTYRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-22(14-26-8-10-28-11-9-26)24-18-6-3-5-17(12-18)23-25-19(15-30-23)21-13-16-4-1-2-7-20(16)29-21/h1-7,12-13,15H,8-11,14H2,(H,24,27).
What are the key properties of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 419.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 9422328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).