2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H26N2S — CID 79411678

IUPAC2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(NCC)CC(C)(C)C2
InChIInChI=1S/C15H26N2S/c1-5-7-8-13-17-12-10-15(3,4)9-11(16-6-2)14(12)18-13/h11,16H,5-10H2,1-4H3
InChIKeyNWTXVLUOCVZORF-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.11
Rot. Bonds5

About 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 79411678) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID79411678
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(NCC)CC(C)(C)C2
InChIInChI=1S/C15H26N2S/c1-5-7-8-13-17-12-10-15(3,4)9-11(16-6-2)14(12)18-13/h11,16H,5-10H2,1-4H3
InChIKeyNWTXVLUOCVZORF-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 79411678) is 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCCc1nc2c(s1)C(NCC)CC(C)(C)C2.
What is the InChIKey of 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is NWTXVLUOCVZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-7-8-13-17-12-10-15(3,4)9-11(16-6-2)14(12)18-13/h11,16H,5-10H2,1-4H3.
What are the key properties of 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 266.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79411678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).