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

C13H11FN2S2 — CID 62057975

IUPAC5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(CNc2nc3cc(F)ccc3s2)s1
InChIInChI=1S/C13H11FN2S2/c1-8-2-4-10(17-8)7-15-13-16-11-6-9(14)3-5-12(11)18-13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIMKHAOZAGSQDDQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.42
Rot. Bonds3

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

5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 62057975) has the molecular formula C13H11FN2S2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID62057975
Molecular FormulaC13H11FN2S2
Molecular Weight278.38 g/mol
Exact Mass278.03
IUPAC Name5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(CNc2nc3cc(F)ccc3s2)s1
InChIInChI=1S/C13H11FN2S2/c1-8-2-4-10(17-8)7-15-13-16-11-6-9(14)3-5-12(11)18-13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIMKHAOZAGSQDDQ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528435
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307
5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419895
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 62057975) is 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ccc(CNc2nc3cc(F)ccc3s2)s1.
What is the InChIKey of 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is IMKHAOZAGSQDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S2/c1-8-2-4-10(17-8)7-15-13-16-11-6-9(14)3-5-12(11)18-13/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62057975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).