5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine

C17H12FN3S2 — CID 122510821

IUPAC5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C17H12FN3S2/c1-9-6-10(2-4-12(9)18)15-16(23-17(19)21-15)11-3-5-13-14(7-11)22-8-20-13/h2-8H,1H3,(H2,19,21)
InChIKeyDNONCWACNKPEIA-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.12
Rot. Bonds2

About 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine

5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 122510821) has the molecular formula C17H12FN3S2 and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID122510821
Molecular FormulaC17H12FN3S2
Molecular Weight341.44 g/mol
Exact Mass341.05
IUPAC Name5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C17H12FN3S2/c1-9-6-10(2-4-12(9)18)15-16(23-17(19)21-15)11-3-5-13-14(7-11)22-8-20-13/h2-8H,1H3,(H2,19,21)
InChIKeyDNONCWACNKPEIA-UHFFFAOYSA-N
XLogP5.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
6-Isopropyl-benzothiazol-2-ylamine
CID 600983
2-Amino-6-(trifluoromethyl)benzothiazole
CID 2735955
Thiourea, N-2-benzothiazolyl-N'-(2-phenylethyl)-
CID 3001119
Benzyl-(6-methyl-benzothiazol-2-yl)-amine
CID 2363758
N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441062
N,N'-dimethyl-N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441078
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 694150
6-Phenylbenzo[d]thiazol-2-amine
CID 5109813
6-(4-(2-fluorophenyl)-1H-imidazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448085

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine (CID 122510821) is 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine is Cc1cc(-c2nc(N)sc2-c2ccc3ncsc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DNONCWACNKPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S2/c1-9-6-10(2-4-12(9)18)15-16(23-17(19)21-15)11-3-5-13-14(7-11)22-8-20-13/h2-8H,1H3,(H2,19,21).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122510821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).