(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine

C10H16N2S — CID 83847715

IUPAC(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine
SMILESCC1(C)CCc2sc(CN)nc2C1
InChIInChI=1S/C10H16N2S/c1-10(2)4-3-8-7(5-10)12-9(6-11)13-8/h3-6,11H2,1-2H3
InChIKeyBPVAQKGMRMXZIQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.12
Rot. Bonds1

About (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine

(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine (PubChem CID 83847715) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine
PubChem CID83847715
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine
SMILESCC1(C)CCc2sc(CN)nc2C1
InChIInChI=1S/C10H16N2S/c1-10(2)4-3-8-7(5-10)12-9(6-11)13-8/h3-6,11H2,1-2H3
InChIKeyBPVAQKGMRMXZIQ-UHFFFAOYSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine (CID 83847715) is (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine is CC1(C)CCc2sc(CN)nc2C1.
What is the InChIKey of (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is BPVAQKGMRMXZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2)4-3-8-7(5-10)12-9(6-11)13-8/h3-6,11H2,1-2H3.
What are the key properties of (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine?
(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 83847715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).