6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

C12H10FN3S2 — CID 79143401

IUPAC6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ncsc1CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H10FN3S2/c1-7-11(17-6-15-7)5-14-12-16-9-3-2-8(13)4-10(9)18-12/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXUMAHXMPZHYWBY-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.81
Rot. Bonds3

About 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79143401) has the molecular formula C12H10FN3S2 and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79143401
Molecular FormulaC12H10FN3S2
Molecular Weight279.37 g/mol
Exact Mass279.03
IUPAC Name6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ncsc1CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H10FN3S2/c1-7-11(17-6-15-7)5-14-12-16-9-3-2-8(13)4-10(9)18-12/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXUMAHXMPZHYWBY-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-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528351
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (CID 79143401) is 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ncsc1CNc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is XUMAHXMPZHYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S2/c1-7-11(17-6-15-7)5-14-12-16-9-3-2-8(13)4-10(9)18-12/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[(4-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).