5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine

C9H10ClN3OS — CID 65474285

IUPAC5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOCCNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H10ClN3OS/c1-14-5-4-11-8-6(10)2-3-7-9(8)13-15-12-7/h2-3,11H,4-5H2,1H3
InChIKeyFJDVGWUURRTHGA-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.40
Rot. Bonds4

About 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65474285) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65474285
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOCCNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H10ClN3OS/c1-14-5-4-11-8-6(10)2-3-7-9(8)13-15-12-7/h2-3,11H,4-5H2,1H3
InChIKeyFJDVGWUURRTHGA-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 65474290
5-chloro-N-hexyl-2,1,3-benzothiadiazol-4-amine
CID 65473471
5-chloro-N-(4-methylpentyl)-2,1,3-benzothiadiazol-4-amine
CID 83156138
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
5-chloro-N-(4,4,4-trifluorobutyl)-2,1,3-benzothiadiazol-4-amine
CID 113326361
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 82890060
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 116509048
5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine
CID 103464333
5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473320
1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-3-methylbutan-2-ol
CID 114249504
5-chloro-N-(oxan-4-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65473653
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine (CID 65474285) is 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine is COCCNc1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is FJDVGWUURRTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-14-5-4-11-8-6(10)2-3-7-9(8)13-15-12-7/h2-3,11H,4-5H2,1H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 243.72 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65474285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).