2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine

C14H22N2S — CID 165134394

IUPAC2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine
SMILESCC(C)c1ccc2c(c1)NC(C(C)C)N(C)S2
InChIInChI=1S/C14H22N2S/c1-9(2)11-6-7-13-12(8-11)15-14(10(3)4)16(5)17-13/h6-10,14-15H,1-5H3
InChIKeyGQAVSFWTWJLHQT-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.16
Rot. Bonds2

About 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine

2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine (PubChem CID 165134394) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine
PubChem CID165134394
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine
SMILESCC(C)c1ccc2c(c1)NC(C(C)C)N(C)S2
InChIInChI=1S/C14H22N2S/c1-9(2)11-6-7-13-12(8-11)15-14(10(3)4)16(5)17-13/h6-10,14-15H,1-5H3
InChIKeyGQAVSFWTWJLHQT-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-2,3-dihydro-1,3-benzothiazole
CID 146691583
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
2,4-dimethyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620450
(2aS)-5-propan-2-yl-2,2a,3,7b-tetrahydro-1H-cyclobuta[b]indole
CID 167022988
2-ethyl-4-methyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623191
4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84623178
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585
3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole
CID 162748632
ethane;3-ethyl-6-propan-2-yl-2,3-dihydro-1,2-benzothiazole
CID 143147510
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551
2,8-di(propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 59610696
2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 118055205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine?
The IUPAC name of 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine (CID 165134394) is 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine.
What is the SMILES notation for 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine?
The canonical SMILES for 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine is CC(C)c1ccc2c(c1)NC(C(C)C)N(C)S2.
What is the InChIKey of 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine?
The InChIKey is GQAVSFWTWJLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(2)11-6-7-13-12(8-11)15-14(10(3)4)16(5)17-13/h6-10,14-15H,1-5H3.
What are the key properties of 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine?
2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine has a molecular weight of 250.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-di(propan-2-yl)-3,4-dihydro-1,2,4-benzothiadiazine is sourced from PubChem (CID 165134394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).