N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide

C16H20N4O3S — CID 166259664

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCNS3(=O)=O)cc2)c1C
InChIInChI=1S/C16H20N4O3S/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)19-16(21)15-4-3-9-18-24(15,22)23/h5-8,10,15,18H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyKSFQGIJSUAHFIU-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.51
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide (PubChem CID 166259664) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
PubChem CID166259664
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCNS3(=O)=O)cc2)c1C
InChIInChI=1S/C16H20N4O3S/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)19-16(21)15-4-3-9-18-24(15,22)23/h5-8,10,15,18H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyKSFQGIJSUAHFIU-UHFFFAOYSA-N
XLogP1.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 167905834
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrole-3a-carboxamide
CID 167809894
1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
CID 166299167
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide (CID 166259664) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CCCNS3(=O)=O)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is KSFQGIJSUAHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-12(2)20(10-17-11)14-7-5-13(6-8-14)19-16(21)15-4-3-9-18-24(15,22)23/h5-8,10,15,18H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 166259664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).