N-tert-butyl-1,3-benzothiazol-2-amine;ethane

C13H20N2S — CID 157105322

IUPACN-tert-butyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC(C)(C)Nc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S.C2H6/c1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-2/h4-7H,1-3H3,(H,12,13);1-2H3
InChIKeyAGFOTVPAKSQXDB-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.53
Rot. Bonds1

About N-tert-butyl-1,3-benzothiazol-2-amine;ethane

N-tert-butyl-1,3-benzothiazol-2-amine;ethane (PubChem CID 157105322) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-tert-butyl-1,3-benzothiazol-2-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-1,3-benzothiazol-2-amine;ethane
PubChem CID157105322
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-tert-butyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC(C)(C)Nc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S.C2H6/c1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-2/h4-7H,1-3H3,(H,12,13);1-2H3
InChIKeyAGFOTVPAKSQXDB-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
N-(1,3-benzothiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149292
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103837758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-benzothiazol-2-amine;ethane?
The IUPAC name of N-tert-butyl-1,3-benzothiazol-2-amine;ethane (CID 157105322) is N-tert-butyl-1,3-benzothiazol-2-amine;ethane.
What is the SMILES notation for N-tert-butyl-1,3-benzothiazol-2-amine;ethane?
The canonical SMILES for N-tert-butyl-1,3-benzothiazol-2-amine;ethane is CC.CC(C)(C)Nc1nc2ccccc2s1.
What is the InChIKey of N-tert-butyl-1,3-benzothiazol-2-amine;ethane?
The InChIKey is AGFOTVPAKSQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S.C2H6/c1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-2/h4-7H,1-3H3,(H,12,13);1-2H3.
What are the key properties of N-tert-butyl-1,3-benzothiazol-2-amine;ethane?
N-tert-butyl-1,3-benzothiazol-2-amine;ethane has a molecular weight of 236.38 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-benzothiazol-2-amine;ethane is sourced from PubChem (CID 157105322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).