7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile

C10H10N2S — CID 84618927

IUPAC7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile
SMILESCc1ccc2c(c1)SCC(C#N)N2
InChIInChI=1S/C10H10N2S/c1-7-2-3-9-10(4-7)13-6-8(5-11)12-9/h2-4,8,12H,6H2,1H3
InChIKeyUXDPJKMMFNVCBR-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.40
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile

7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile (PubChem CID 84618927) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile
PubChem CID84618927
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile
SMILESCc1ccc2c(c1)SCC(C#N)N2
InChIInChI=1S/C10H10N2S/c1-7-2-3-9-10(4-7)13-6-8(5-11)12-9/h2-4,8,12H,6H2,1H3
InChIKeyUXDPJKMMFNVCBR-UHFFFAOYSA-N
XLogP2.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618482
6-methyl-2,3-dihydro-1,3-benzothiazol-2-ol
CID 118104796
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine-2-carbonitrile
CID 84620392
N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
CID 112715902
2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618469
3,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one
CID 58484402
7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115097143
6-methyl-2,3-dihydro-1,4-benzodithiine
CID 11789864
5-methyl-2,3-dihydro-1,3-benzothiazole
CID 22342374
3-(5,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propanenitrile
CID 84627267

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile?
The IUPAC name of 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile (CID 84618927) is 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile is Cc1ccc2c(c1)SCC(C#N)N2.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile?
The InChIKey is UXDPJKMMFNVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-2-3-9-10(4-7)13-6-8(5-11)12-9/h2-4,8,12H,6H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile?
7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile is sourced from PubChem (CID 84618927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).