3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine

C11H13ClN2OS — CID 103157437

IUPAC3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2cccc(Cl)c2s1
InChIInChI=1S/C11H13ClN2OS/c1-15-7(6-13)5-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,7H,5-6,13H2,1H3
InChIKeyFKYIFXQYIQPJGP-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.47
Rot. Bonds4

About 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine

3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103157437) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103157437
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2cccc(Cl)c2s1
InChIInChI=1S/C11H13ClN2OS/c1-15-7(6-13)5-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,7H,5-6,13H2,1H3
InChIKeyFKYIFXQYIQPJGP-UHFFFAOYSA-N
XLogP2.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503119
2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 103157445
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975
2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
CID 65220936
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
1-(7-chloro-1,3-benzothiazol-2-yl)ethanol
CID 79872379
[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine
CID 141238620
1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol
CID 43306322
1-(7-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
CID 55078389
7-chloro-1,3-benzothiazole-2-thiolate
CID 86306807
1-(7-chloro-1,3-benzothiazol-2-yl)-N-ethylethanamine
CID 79872468
3-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)propan-1-amine
CID 104631916

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine (CID 103157437) is 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine is COC(CN)Cc1nc2cccc(Cl)c2s1.
What is the InChIKey of 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is FKYIFXQYIQPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-15-7(6-13)5-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine?
3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 256.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103157437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).