2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C13H23N3S — CID 62750828

IUPAC2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(CC)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C13H23N3S/c1-5-16(6-2)12-15-10-8-13(3,4)7-9(14)11(10)17-12/h9H,5-8,14H2,1-4H3
InChIKeyWNGCKZDIZYLYES-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.96
Rot. Bonds3

About 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 62750828) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID62750828
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(CC)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C13H23N3S/c1-5-16(6-2)12-15-10-8-13(3,4)7-9(14)11(10)17-12/h9H,5-8,14H2,1-4H3
InChIKeyWNGCKZDIZYLYES-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 62750828) is 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CCN(CC)c1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is WNGCKZDIZYLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-16(6-2)12-15-10-8-13(3,4)7-9(14)11(10)17-12/h9H,5-8,14H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 253.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).