N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine

C10H7ClN4S2 — CID 164628708

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine
SMILESClc1snnc1CNc1ccc2sncc2c1
InChIInChI=1S/C10H7ClN4S2/c11-10-8(14-15-17-10)5-12-7-1-2-9-6(3-7)4-13-16-9/h1-4,12H,5H2
InChIKeyJNQBSCAAQLKBDF-UHFFFAOYSA-N
MW282.78 g/mol
LogP3.41
Rot. Bonds3

About N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine (PubChem CID 164628708) has the molecular formula C10H7ClN4S2 and a molecular weight of 282.78 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine
PubChem CID164628708
Molecular FormulaC10H7ClN4S2
Molecular Weight282.78 g/mol
Exact Mass281.98
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine
SMILESClc1snnc1CNc1ccc2sncc2c1
InChIInChI=1S/C10H7ClN4S2/c11-10-8(14-15-17-10)5-12-7-1-2-9-6(3-7)4-13-16-9/h1-4,12H,5H2
InChIKeyJNQBSCAAQLKBDF-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-1-methylpyrrol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164614257
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164614975
N-[(5-chlorothiophen-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622452
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628686
N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2-benzothiazol-5-amine
CID 167960139

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine (CID 164628708) is N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine is Clc1snnc1CNc1ccc2sncc2c1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine?
The InChIKey is JNQBSCAAQLKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S2/c11-10-8(14-15-17-10)5-12-7-1-2-9-6(3-7)4-13-16-9/h1-4,12H,5H2.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine has a molecular weight of 282.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164628708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).