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

C22H21Cl2N5O3S — CID 157411680

IUPACN-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C22H21Cl2N5O3S/c23-17-5-4-16(11-18(17)24)26-21(31)28-22-27-19(13-33-22)14-2-1-3-15(10-14)25-20(30)12-29-6-8-32-9-7-29/h1-5,10-11,13H,6-9,12H2,(H,25,30)(H2,26,27,28,31)
InChIKeyBOIYQXGIGXMSSO-UHFFFAOYSA-N
MW506.42 g/mol
LogP5.03
Rot. Bonds6

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

N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 157411680) has the molecular formula C22H21Cl2N5O3S and a molecular weight of 506.42 g/mol. Its IUPAC name is N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID157411680
Molecular FormulaC22H21Cl2N5O3S
Molecular Weight506.42 g/mol
Exact Mass505.07
IUPAC NameN-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C22H21Cl2N5O3S/c23-17-5-4-16(11-18(17)24)26-21(31)28-22-27-19(13-33-22)14-2-1-3-15(10-14)25-20(30)12-29-6-8-32-9-7-29/h1-5,10-11,13H,6-9,12H2,(H,25,30)(H2,26,27,28,31)
InChIKeyBOIYQXGIGXMSSO-UHFFFAOYSA-N
XLogP5.03
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.42
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (CID 157411680) is N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is BOIYQXGIGXMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3S/c23-17-5-4-16(11-18(17)24)26-21(31)28-22-27-19(13-33-22)14-2-1-3-15(10-14)25-20(30)12-29-6-8-32-9-7-29/h1-5,10-11,13H,6-9,12H2,(H,25,30)(H2,26,27,28,31).
What are the key properties of N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 506.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 157411680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).