2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

C21H26N4O3S — CID 51591557

IUPAC2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)cc2s1
InChIInChI=1S/C21H26N4O3S/c1-12(2)19-23-15-9-8-13(10-17(15)29-19)22-18(26)11-16-20(27)25(21(28)24-16)14-6-4-3-5-7-14/h8-10,12,14,16H,3-7,11H2,1-2H3,(H,22,26)(H,24,28)/t16-/m1/s1
InChIKeyDSFILAMGMQQIEY-MRXNPFEDSA-N
MW414.53 g/mol
LogP4.00
Rot. Bonds5

About 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 51591557) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID51591557
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)c1nc2ccc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)cc2s1
InChIInChI=1S/C21H26N4O3S/c1-12(2)19-23-15-9-8-13(10-17(15)29-19)22-18(26)11-16-20(27)25(21(28)24-16)14-6-4-3-5-7-14/h8-10,12,14,16H,3-7,11H2,1-2H3,(H,22,26)(H,24,28)/t16-/m1/s1
InChIKeyDSFILAMGMQQIEY-MRXNPFEDSA-N
XLogP4.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (CID 51591557) is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is CC(C)c1nc2ccc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)cc2s1.
What is the InChIKey of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is DSFILAMGMQQIEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-12(2)19-23-15-9-8-13(10-17(15)29-19)22-18(26)11-16-20(27)25(21(28)24-16)14-6-4-3-5-7-14/h8-10,12,14,16H,3-7,11H2,1-2H3,(H,22,26)(H,24,28)/t16-/m1/s1.
What are the key properties of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 51591557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).