N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H14ClFN4O3S — CID 16618854

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc3ccc(Cl)cc3s2)C1=O
InChIInChI=1S/C19H14ClFN4O3S/c1-19(10-2-5-12(21)6-3-10)16(27)25(18(28)24-19)9-15(26)23-17-22-13-7-4-11(20)8-14(13)29-17/h2-8H,9H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyDLWLVKIARFCEKR-UHFFFAOYSA-N
MW432.86 g/mol
LogP3.49
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16618854) has the molecular formula C19H14ClFN4O3S and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16618854
Molecular FormulaC19H14ClFN4O3S
Molecular Weight432.86 g/mol
Exact Mass432.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc3ccc(Cl)cc3s2)C1=O
InChIInChI=1S/C19H14ClFN4O3S/c1-19(10-2-5-12(21)6-3-10)16(27)25(18(28)24-19)9-15(26)23-17-22-13-7-4-11(20)8-14(13)29-17/h2-8H,9H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyDLWLVKIARFCEKR-UHFFFAOYSA-N
XLogP3.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 7192867
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CID 16194766
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16618854) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc3ccc(Cl)cc3s2)C1=O.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DLWLVKIARFCEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3S/c1-19(10-2-5-12(21)6-3-10)16(27)25(18(28)24-19)9-15(26)23-17-22-13-7-4-11(20)8-14(13)29-17/h2-8H,9H2,1H3,(H,24,28)(H,22,23,26).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 432.86 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16618854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).