N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

C15H17N5O3S — CID 97122400

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H17N5O3S/c1-18(8-9-4-5-10-11(6-9)17-24-16-10)13(21)7-12-14(22)20(3)15(23)19(12)2/h4-6,12H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyYCLISXSSNAIXBI-LBPRGKRZSA-N
MW347.40 g/mol
LogP0.93
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (PubChem CID 97122400) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
PubChem CID97122400
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C15H17N5O3S/c1-18(8-9-4-5-10-11(6-9)17-24-16-10)13(21)7-12-14(22)20(3)15(23)19(12)2/h4-6,12H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyYCLISXSSNAIXBI-LBPRGKRZSA-N
XLogP0.93
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (CID 97122400) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is CN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The InChIKey is YCLISXSSNAIXBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-18(8-9-4-5-10-11(6-9)17-24-16-10)13(21)7-12-14(22)20(3)15(23)19(12)2/h4-6,12H,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide has a molecular weight of 347.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 97122400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).