CID 101239425

C17H19N2OS — CID 101239425

IUPAC—
SMILESCC1(C)N=C(c2ccc(-c3ccsc3)cc2)N([O])C1(C)C
InChIInChI=1S/C17H19N2OS/c1-16(2)17(3,4)19(20)15(18-16)13-7-5-12(6-8-13)14-9-10-21-11-14/h5-11H,1-4H3
InChIKeyNXZIWAOIGINZHT-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.38
Rot. Bonds2

About CID 101239425

CID 101239425 (PubChem CID 101239425) has the molecular formula C17H19N2OS and a molecular weight of 299.42 g/mol.

Molecular Properties

Compound NameCID 101239425
PubChem CID101239425
Molecular FormulaC17H19N2OS
Molecular Weight299.42 g/mol
Exact Mass299.12
IUPAC Name—
SMILESCC1(C)N=C(c2ccc(-c3ccsc3)cc2)N([O])C1(C)C
InChIInChI=1S/C17H19N2OS/c1-16(2)17(3,4)19(20)15(18-16)13-7-5-12(6-8-13)14-9-10-21-11-14/h5-11H,1-4H3
InChIKeyNXZIWAOIGINZHT-UHFFFAOYSA-N
XLogP4.38
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-1,3-dioxido-5-phenyl-2-thiophen-2-ylimidazole-1,3-diium
CID 14397463
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CID 177389615
CID 177389615
CID 177514102
CID 177514102
2-(4-thiophen-2-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10130787
7-(4-Tert-butylphenyl)-11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
CID 15135811
2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole
CID 54334600
2-Butyl-1-[(4-methylphenyl)methyl]-5-(2-methyl-3-thiophen-2-ylprop-1-enyl)-4,5-dihydroimidazole
CID 91081358
2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 160172255
1-Benzyl-2-thiophen-2-yl-4,5-dihydroimidazole
CID 174496474
1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-(4-phenylthiophen-2-yl)imidazol-3-ium
CID 174675141
CID 11552156
CID 11552156

Frequently Asked Questions

What is the IUPAC name of CID 101239425?
The IUPAC name of CID 101239425 (CID 101239425) is not available.
What is the SMILES notation for CID 101239425?
The canonical SMILES for CID 101239425 is CC1(C)N=C(c2ccc(-c3ccsc3)cc2)N([O])C1(C)C.
What is the InChIKey of CID 101239425?
The InChIKey is NXZIWAOIGINZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2OS/c1-16(2)17(3,4)19(20)15(18-16)13-7-5-12(6-8-13)14-9-10-21-11-14/h5-11H,1-4H3.
What are the key properties of CID 101239425?
CID 101239425 has a molecular weight of 299.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101239425 is sourced from PubChem (CID 101239425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).