N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine

C13H16N2S2 — CID 55152099

IUPACN-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2c(s1)CCc1sccc1-2
InChIInChI=1S/C13H16N2S2/c1-13(2,3)15-12-14-11-8-6-7-16-9(8)4-5-10(11)17-12/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyRPYIPEHKLPLSOC-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.18
Rot. Bonds1

About N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine

N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine (PubChem CID 55152099) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine
PubChem CID55152099
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine
SMILESCC(C)(C)Nc1nc2c(s1)CCc1sccc1-2
InChIInChI=1S/C13H16N2S2/c1-13(2,3)15-12-14-11-8-6-7-16-9(8)4-5-10(11)17-12/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyRPYIPEHKLPLSOC-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine (CID 55152099) is N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine is CC(C)(C)Nc1nc2c(s1)CCc1sccc1-2.
What is the InChIKey of N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine?
The InChIKey is RPYIPEHKLPLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-13(2,3)15-12-14-11-8-6-7-16-9(8)4-5-10(11)17-12/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine?
N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine has a molecular weight of 264.42 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 55152099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).