6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine

C14H20N2S — CID 22975278

IUPAC6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1cc2nc(N)sc2cc1C(C)(C)C
InChIInChI=1S/C14H20N2S/c1-8(2)9-6-11-12(17-13(15)16-11)7-10(9)14(3,4)5/h6-8H,1-5H3,(H2,15,16)
InChIKeySLCYKKGFEDHVGK-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.30
Rot. Bonds1

About 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine

6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 22975278) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID22975278
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1cc2nc(N)sc2cc1C(C)(C)C
InChIInChI=1S/C14H20N2S/c1-8(2)9-6-11-12(17-13(15)16-11)7-10(9)14(3,4)5/h6-8H,1-5H3,(H2,15,16)
InChIKeySLCYKKGFEDHVGK-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549880
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
5-tert-butyl-6-propan-2-yl-2-benzothiophene
CID 155404019
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
2-amino-5,7-di(propan-2-yl)-1,3-benzothiazole-6-carbonitrile
CID 177282982
(7-amino-8-tert-butylphenothiazin-3-ylidene)-dimethylazanium
CID 53391324
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
6-chloro-5-ethyl-1,3-benzothiazol-2-amine
CID 170435006

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine (CID 22975278) is 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)c1cc2nc(N)sc2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is SLCYKKGFEDHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-8(2)9-6-11-12(17-13(15)16-11)7-10(9)14(3,4)5/h6-8H,1-5H3,(H2,15,16).
What are the key properties of 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine?
6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 22975278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).