5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine

C12H15BrN2S — CID 43306540

IUPAC5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine
SMILESCCCC(C)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C12H15BrN2S/c1-3-4-8(2)14-12-15-10-7-9(13)5-6-11(10)16-12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyPTSPJUXAORHUBF-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine

5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 43306540) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine
PubChem CID43306540
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC Name5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine
SMILESCCCC(C)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C12H15BrN2S/c1-3-4-8(2)14-12-15-10-7-9(13)5-6-11(10)16-12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyPTSPJUXAORHUBF-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
6-bromo-N-(4-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79527837
N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43306522
6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 79528939
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79527738
5-bromo-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 43307054
5-chloro-N-octan-4-yl-1,3-benzothiazol-2-amine
CID 106027403
N-[(5-bromo-1,3-benzothiazol-2-yl)carbamothioyl]butanamide
CID 46192852
5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 114169760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine (CID 43306540) is 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine is CCCC(C)Nc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is PTSPJUXAORHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-3-4-8(2)14-12-15-10-7-9(13)5-6-11(10)16-12/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine?
5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 299.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).