2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

C21H24N4O3S — CID 97267127

IUPAC2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C21H24N4O3S/c26-18(24-20-22-15-9-5-2-6-10-17(15)29-20)13-16-19(27)25(21(28)23-16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2,(H,23,28)(H,22,24,26)/t16-/m1/s1
InChIKeyXNGPQOGLFLKMGZ-MRXNPFEDSA-N
MW412.52 g/mol
LogP2.90
Rot. Bonds6

About 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 97267127) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
PubChem CID97267127
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C21H24N4O3S/c26-18(24-20-22-15-9-5-2-6-10-17(15)29-20)13-16-19(27)25(21(28)23-16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2,(H,23,28)(H,22,24,26)/t16-/m1/s1
InChIKeyXNGPQOGLFLKMGZ-MRXNPFEDSA-N
XLogP2.90
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871248
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 110210009
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 91821541
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 51043522
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 47018012
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 99871503
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357094
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (CID 97267127) is 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is XNGPQOGLFLKMGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-18(24-20-22-15-9-5-2-6-10-17(15)29-20)13-16-19(27)25(21(28)23-16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2,(H,23,28)(H,22,24,26)/t16-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 97267127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).