9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one

C10H8N4OS — CID 4598789

IUPAC9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one
SMILESCC1=Nc2c(ccc3nsnc23)NC(=O)C1
InChIInChI=1S/C10H8N4OS/c1-5-4-8(15)12-6-2-3-7-10(9(6)11-5)14-16-13-7/h2-3H,4H2,1H3,(H,12,15)
InChIKeySMJHXUSSWOELHZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.13
Rot. Bonds

About 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one

9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one (PubChem CID 4598789) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one.

Molecular Properties

Compound Name9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one
PubChem CID4598789
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one
SMILESCC1=Nc2c(ccc3nsnc23)NC(=O)C1
InChIInChI=1S/C10H8N4OS/c1-5-4-8(15)12-6-2-3-7-10(9(6)11-5)14-16-13-7/h2-3H,4H2,1H3,(H,12,15)
InChIKeySMJHXUSSWOELHZ-UHFFFAOYSA-N
XLogP2.13
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
3-(2,1,3-Benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea
CID 1072934
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methylbutanamide
CID 6621516
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one?
The IUPAC name of 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one (CID 4598789) is 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one.
What is the SMILES notation for 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one?
The canonical SMILES for 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one is CC1=Nc2c(ccc3nsnc23)NC(=O)C1.
What is the InChIKey of 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one?
The InChIKey is SMJHXUSSWOELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-5-4-8(15)12-6-2-3-7-10(9(6)11-5)14-16-13-7/h2-3H,4H2,1H3,(H,12,15).
What are the key properties of 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one?
9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one has a molecular weight of 232.27 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,8-dihydro-[1,2,5]thiadiazolo[3,4-g][1,5]benzodiazepin-7-one is sourced from PubChem (CID 4598789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).