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

C13H13FN4S — CID 106049307

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCc1c(CNc2nc3cc(F)ccc3s2)cnn1C
InChIInChI=1S/C13H13FN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-5-10(14)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyCJVQWXRBNIQYGH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.09
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 106049307) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID106049307
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCc1c(CNc2nc3cc(F)ccc3s2)cnn1C
InChIInChI=1S/C13H13FN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-5-10(14)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyCJVQWXRBNIQYGH-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-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-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 103934019
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
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
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103858254
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83076309
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133405580
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 114138547

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 106049307) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is Cc1c(CNc2nc3cc(F)ccc3s2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is CJVQWXRBNIQYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-5-10(14)3-4-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106049307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).