2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C12H21N3S — CID 62089743

IUPAC2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCN(C)Cc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C12H21N3S/c1-12(2)5-8(13)11-9(6-12)14-10(16-11)7-15(3)4/h8H,5-7,13H2,1-4H3
InChIKeyZSXBYGHRDDGBNE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.18
Rot. Bonds2

About 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62089743) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62089743
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCN(C)Cc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C12H21N3S/c1-12(2)5-8(13)11-9(6-12)14-10(16-11)7-15(3)4/h8H,5-7,13H2,1-4H3
InChIKeyZSXBYGHRDDGBNE-UHFFFAOYSA-N
XLogP2.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62089743) is 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CN(C)Cc1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is ZSXBYGHRDDGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2)5-8(13)11-9(6-12)14-10(16-11)7-15(3)4/h8H,5-7,13H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 239.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62089743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).