N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine

C11H7ClN4S — CID 107268509

IUPACN-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
SMILESClc1cncc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H7ClN4S/c12-10-4-13-5-11(16-10)15-7-1-2-8-9(3-7)17-6-14-8/h1-6H,(H,15,16)
InChIKeyWHKPDWZPKBLRDZ-UHFFFAOYSA-N
MW262.73 g/mol
LogP3.48
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine

N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 107268509) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
PubChem CID107268509
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC NameN-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
SMILESClc1cncc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H7ClN4S/c12-10-4-13-5-11(16-10)15-7-1-2-8-9(3-7)17-6-14-8/h1-6H,(H,15,16)
InChIKeyWHKPDWZPKBLRDZ-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
CID 107800195
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 107801949
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
CID 107800218
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-benzothiazol-6-amine
CID 107800243

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine (CID 107268509) is N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine is Clc1cncc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is WHKPDWZPKBLRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-10-4-13-5-11(16-10)15-7-1-2-8-9(3-7)17-6-14-8/h1-6H,(H,15,16).
What are the key properties of N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine?
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 262.73 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107268509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).