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

C23H25N5O3S — CID 161042994

IUPACN-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O3S/c29-21(15-28-9-11-31-12-10-28)25-19-8-4-7-18(13-19)20-16-32-23(26-20)27-22(30)24-14-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,25,29)(H2,24,26,27,30)
InChIKeyUBCVLOMXFWJRNZ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.40
Rot. Bonds7

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

N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 161042994) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID161042994
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O3S/c29-21(15-28-9-11-31-12-10-28)25-19-8-4-7-18(13-19)20-16-32-23(26-20)27-22(30)24-14-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,25,29)(H2,24,26,27,30)
InChIKeyUBCVLOMXFWJRNZ-UHFFFAOYSA-N
XLogP3.40
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 157411680
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47033056
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (CID 161042994) is N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is UBCVLOMXFWJRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c29-21(15-28-9-11-31-12-10-28)25-19-8-4-7-18(13-19)20-16-32-23(26-20)27-22(30)24-14-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,25,29)(H2,24,26,27,30).
What are the key properties of N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 451.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 161042994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).