(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C12H11FN4S — CID 115288825

IUPAC(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3ccc(F)cc3s2)cn1
InChIInChI=1S/C12H11FN4S/c1-17-6-7(5-15-17)11(14)12-16-9-3-2-8(13)4-10(9)18-12/h2-6,11H,14H2,1H3
InChIKeyNYRPQHAIVHJVQJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.22
Rot. Bonds2

About (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115288825) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115288825
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3ccc(F)cc3s2)cn1
InChIInChI=1S/C12H11FN4S/c1-17-6-7(5-15-17)11(14)12-16-9-3-2-8(13)4-10(9)18-12/h2-6,11H,14H2,1H3
InChIKeyNYRPQHAIVHJVQJ-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
CID 16785010
2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
4-(1,3-Benzothiazol-2-ylmethyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565571
6-(2-Methylpyrazol-3-yl)-1,3-benzothiazol-2-amine
CID 122184530
2-(3-Methyl-1H-pyrazol-4-yl)benzo[d]thiazole
CID 45076993
US8754233, 4-(6-Fluoro-benzothiazol-2-yl)-1H-pyrazol-3-ylamine
CID 66768450
N-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554686
6-(1-Methylpyrazol-3-yl)-1,3-benzothiazol-2-amine
CID 122184529
6-(1-Ethylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184531

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 115288825) is (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc3ccc(F)cc3s2)cn1.
What is the InChIKey of (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is NYRPQHAIVHJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c1-17-6-7(5-15-17)11(14)12-16-9-3-2-8(13)4-10(9)18-12/h2-6,11H,14H2,1H3.
What are the key properties of (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzothiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115288825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).