N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine

C13H10ClN3S — CID 87379371

IUPACN-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cccc(Cl)n3)sc2c1
InChIInChI=1S/C13H10ClN3S/c1-8-5-6-9-10(7-8)18-13(15-9)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyZBARTIJSEDPPJD-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.40
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine

N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 87379371) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID87379371
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC NameN-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cccc(Cl)n3)sc2c1
InChIInChI=1S/C13H10ClN3S/c1-8-5-6-9-10(7-8)18-13(15-9)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyZBARTIJSEDPPJD-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53379572
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 114919056

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine (CID 87379371) is N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(Nc3cccc(Cl)n3)sc2c1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ZBARTIJSEDPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-8-5-6-9-10(7-8)18-13(15-9)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 275.76 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87379371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).