6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

C12H10FN3S2 — CID 79143723

IUPAC6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ncc(CNc2nc3ccc(F)cc3s2)s1
InChIInChI=1S/C12H10FN3S2/c1-7-14-5-9(17-7)6-15-12-16-10-3-2-8(13)4-11(10)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUWIFUFUWGOPMKU-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.81
Rot. Bonds3

About 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79143723) has the molecular formula C12H10FN3S2 and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79143723
Molecular FormulaC12H10FN3S2
Molecular Weight279.37 g/mol
Exact Mass279.03
IUPAC Name6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ncc(CNc2nc3ccc(F)cc3s2)s1
InChIInChI=1S/C12H10FN3S2/c1-7-14-5-9(17-7)6-15-12-16-10-3-2-8(13)4-11(10)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyUWIFUFUWGOPMKU-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143401
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (CID 79143723) is 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ncc(CNc2nc3ccc(F)cc3s2)s1.
What is the InChIKey of 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is UWIFUFUWGOPMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S2/c1-7-14-5-9(17-7)6-15-12-16-10-3-2-8(13)4-11(10)18-12/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 279.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).