2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H20N2S — CID 115892353

IUPAC2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(NC1CC(C)C1)CCC2
InChIInChI=1S/C13H20N2S/c1-8-6-10(7-8)15-12-5-3-4-11-13(12)16-9(2)14-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeyYOFIAGUFEHIZGC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 115892353) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID115892353
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(NC1CC(C)C1)CCC2
InChIInChI=1S/C13H20N2S/c1-8-6-10(7-8)15-12-5-3-4-11-13(12)16-9(2)14-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeyYOFIAGUFEHIZGC-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 115892353) is 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is Cc1nc2c(s1)C(NC1CC(C)C1)CCC2.
What is the InChIKey of 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is YOFIAGUFEHIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-6-10(7-8)15-12-5-3-4-11-13(12)16-9(2)14-11/h8,10,12,15H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 236.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 115892353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).