2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C10H16N2S — CID 62090954

IUPAC2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C10H16N2S/c1-6-12-8-5-10(2,3)4-7(11)9(8)13-6/h7H,4-5,11H2,1-3H3
InChIKeyGGRLIQQUWCNIPG-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.42
Rot. Bonds

About 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62090954) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62090954
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C10H16N2S/c1-6-12-8-5-10(2,3)4-7(11)9(8)13-6/h7H,4-5,11H2,1-3H3
InChIKeyGGRLIQQUWCNIPG-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62090954) is 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is Cc1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is GGRLIQQUWCNIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6-12-8-5-10(2,3)4-7(11)9(8)13-6/h7H,4-5,11H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 196.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62090954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).