(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

C8H11FN2S — CID 83853778

IUPAC(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESNCc1nc2c(s1)C(F)CCC2
InChIInChI=1S/C8H11FN2S/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h5H,1-4,10H2
InChIKeyVIUTXFQMXJUORD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.95
Rot. Bonds1

About (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (PubChem CID 83853778) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
PubChem CID83853778
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESNCc1nc2c(s1)C(F)CCC2
InChIInChI=1S/C8H11FN2S/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h5H,1-4,10H2
InChIKeyVIUTXFQMXJUORD-UHFFFAOYSA-N
XLogP1.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CID 17749983
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
1-(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 3059974
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride
CID 3059978
Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
CID 3249913
2-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)ethan-1-amine
CID 4673867
4,5,6,7-Tetrahydro-2-benzothiazolepropanamine
CID 24261853
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 12696967
(4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazol-2-yl)methanamine
CID 820066
2-(Piperidin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 24261810
2-(Piperidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 24261831

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (CID 83853778) is (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is NCc1nc2c(s1)C(F)CCC2.
What is the InChIKey of (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is VIUTXFQMXJUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h5H,1-4,10H2.
What are the key properties of (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
(7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 186.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 83853778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).