N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide

C21H25N3O3S — CID 1232892

IUPACN-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)NC1CCCCC1
InChIInChI=1S/C21H25N3O3S/c25-19(23-16-5-2-1-3-6-16)14-27-17-9-7-15(8-10-17)13-18-20(26)24-12-4-11-22-21(24)28-18/h7-10,13,16H,1-6,11-12,14H2,(H,23,25)/b18-13+
InChIKeyASKNURZDTCGULK-QGOAFFKASA-N
MW399.52 g/mol
LogP1.59
Rot. Bonds5

About N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide

N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide (PubChem CID 1232892) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
PubChem CID1232892
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)NC1CCCCC1
InChIInChI=1S/C21H25N3O3S/c25-19(23-16-5-2-1-3-6-16)14-27-17-9-7-15(8-10-17)13-18-20(26)24-12-4-11-22-21(24)28-18/h7-10,13,16H,1-6,11-12,14H2,(H,23,25)/b18-13+
InChIKeyASKNURZDTCGULK-QGOAFFKASA-N
XLogP1.59
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
CID 1206319
N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
CID 5453036
(2Z)-2-[(4-chlorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2410258
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6137347

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide (CID 1232892) is N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide is O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?
The InChIKey is ASKNURZDTCGULK-QGOAFFKASA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-19(23-16-5-2-1-3-6-16)14-27-17-9-7-15(8-10-17)13-18-20(26)24-12-4-11-22-21(24)28-18/h7-10,13,16H,1-6,11-12,14H2,(H,23,25)/b18-13+.
What are the key properties of N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?
N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide has a molecular weight of 399.52 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 1232892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).