5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine

C13H16ClN3S — CID 82192094

IUPAC5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(NC3CCNCC3)nc12
InChIInChI=1S/C13H16ClN3S/c1-8-10(14)2-3-11-12(8)17-13(18-11)16-9-4-6-15-7-5-9/h2-3,9,15H,4-7H2,1H3,(H,16,17)
InChIKeyITFCLJOGQXIYTF-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.42
Rot. Bonds2

About 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine

5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 82192094) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
PubChem CID82192094
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(NC3CCNCC3)nc12
InChIInChI=1S/C13H16ClN3S/c1-8-10(14)2-3-11-12(8)17-13(18-11)16-9-4-6-15-7-5-9/h2-3,9,15H,4-7H2,1H3,(H,16,17)
InChIKeyITFCLJOGQXIYTF-UHFFFAOYSA-N
XLogP3.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-methyl-N-piperidin-4-yl-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

4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192099
4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192008
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
CID 54902456
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
5-chloro-4-methyl-1,3-benzothiazol-2-amine
CID 1180481
4-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 24708198
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine (CID 82192094) is 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine is Cc1c(Cl)ccc2sc(NC3CCNCC3)nc12.
What is the InChIKey of 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is ITFCLJOGQXIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8-10(14)2-3-11-12(8)17-13(18-11)16-9-4-6-15-7-5-9/h2-3,9,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).