1-(1,3-benzothiazol-2-yl)pentan-2-amine

C12H16N2S — CID 43118668

IUPAC1-(1,3-benzothiazol-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc2ccccc2s1
InChIInChI=1S/C12H16N2S/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8,13H2,1H3
InChIKeyNFSCZLLEOUDZBJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)pentan-2-amine

1-(1,3-benzothiazol-2-yl)pentan-2-amine (PubChem CID 43118668) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)pentan-2-amine
PubChem CID43118668
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(1,3-benzothiazol-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc2ccccc2s1
InChIInChI=1S/C12H16N2S/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8,13H2,1H3
InChIKeyNFSCZLLEOUDZBJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-phenylbutan-2-amine
CID 43118679
1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
1-(1,3-benzothiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148841
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
1-(1,3-benzothiazol-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105169783
1-(1,3-benzothiazol-2-yl)-3-(2-bromophenyl)propan-2-amine
CID 79819344
2-(2-chloroheptyl)-1,3-benzothiazole
CID 66459330
1-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)propan-2-amine
CID 79818773
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
CID 105016121
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)pentan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)pentan-2-amine (CID 43118668) is 1-(1,3-benzothiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)pentan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)pentan-2-amine is CCCC(N)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)pentan-2-amine?
The InChIKey is NFSCZLLEOUDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8,13H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)pentan-2-amine?
1-(1,3-benzothiazol-2-yl)pentan-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 43118668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).