5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine

C15H15ClN4S — CID 43674903

IUPAC5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H15ClN4S/c1-20-12-4-2-3-11(9(12)7-18-20)19-14-10(16)5-6-13-15(14)17-8-21-13/h5-8,11,19H,2-4H2,1H3
InChIKeyDFQJCDBLBWSWBQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.17
Rot. Bonds2

About 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine

5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine (PubChem CID 43674903) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine
PubChem CID43674903
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H15ClN4S/c1-20-12-4-2-3-11(9(12)7-18-20)19-14-10(16)5-6-13-15(14)17-8-21-13/h5-8,11,19H,2-4H2,1H3
InChIKeyDFQJCDBLBWSWBQ-UHFFFAOYSA-N
XLogP4.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine (CID 43674903) is 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine is Cn1ncc2c1CCCC2Nc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine?
The InChIKey is DFQJCDBLBWSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-20-12-4-2-3-11(9(12)7-18-20)19-14-10(16)5-6-13-15(14)17-8-21-13/h5-8,11,19H,2-4H2,1H3.
What are the key properties of 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine?
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine has a molecular weight of 318.83 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).