1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol

C10H11ClN2OS — CID 43306322

IUPAC1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cccc(Cl)c2s1
InChIInChI=1S/C10H11ClN2OS/c1-5(14)8(12)10-13-7-4-2-3-6(11)9(7)15-10/h2-5,8,14H,12H2,1H3
InChIKeyHTZZQIXFVTXFES-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.33
Rot. Bonds2

About 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol

1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol (PubChem CID 43306322) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol
PubChem CID43306322
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cccc(Cl)c2s1
InChIInChI=1S/C10H11ClN2OS/c1-5(14)8(12)10-13-7-4-2-3-6(11)9(7)15-10/h2-5,8,14H,12H2,1H3
InChIKeyHTZZQIXFVTXFES-UHFFFAOYSA-N
XLogP2.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloro-1,3-benzothiazol-2-yl)ethanol
CID 79872379
1-(7-chloro-1,3-benzothiazol-2-yl)-N-ethylethanamine
CID 79872468
2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
CID 65220936
4-[2-amino-2-(7-chloro-1,3-benzothiazol-2-yl)ethyl]benzene-1,2-diol
CID 61071902
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 60787763
4-[1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503119
1-(7-fluoro-1,3-benzothiazol-2-yl)ethanamine
CID 45077196
7-chloro-1,3-benzothiazole-2-thiolate
CID 86306807
2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol
CID 83897316
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol (CID 43306322) is 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol is CC(O)C(N)c1nc2cccc(Cl)c2s1.
What is the InChIKey of 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol?
The InChIKey is HTZZQIXFVTXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-5(14)8(12)10-13-7-4-2-3-6(11)9(7)15-10/h2-5,8,14H,12H2,1H3.
What are the key properties of 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol?
1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol has a molecular weight of 242.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol is sourced from PubChem (CID 43306322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).