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

C13H13ClN4S — CID 103934019

IUPAC6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1c(CNc2nc3ccc(Cl)cc3s2)cnn1C
InChIInChI=1S/C13H13ClN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-4-3-10(14)5-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyMWAZADVYSWCNLD-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.60
Rot. Bonds3

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

6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 103934019) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID103934019
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1c(CNc2nc3ccc(Cl)cc3s2)cnn1C
InChIInChI=1S/C13H13ClN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-4-3-10(14)5-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyMWAZADVYSWCNLD-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79525794
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103858254
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859261
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79526174

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 103934019) is 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine is Cc1c(CNc2nc3ccc(Cl)cc3s2)cnn1C.
What is the InChIKey of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is MWAZADVYSWCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-8-9(7-16-18(8)2)6-15-13-17-11-4-3-10(14)5-12(11)19-13/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 292.80 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).