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

C15H14ClN3OS — CID 103464333

IUPAC5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOCC(Nc1c(Cl)ccc2nsnc12)c1ccccc1
InChIInChI=1S/C15H14ClN3OS/c1-20-9-13(10-5-3-2-4-6-10)17-14-11(16)7-8-12-15(14)19-21-18-12/h2-8,13,17H,9H2,1H3
InChIKeyFWKLIUPETOJWNZ-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.14
Rot. Bonds5

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

5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 103464333) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID103464333
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOCC(Nc1c(Cl)ccc2nsnc12)c1ccccc1
InChIInChI=1S/C15H14ClN3OS/c1-20-9-13(10-5-3-2-4-6-10)17-14-11(16)7-8-12-15(14)19-21-18-12/h2-8,13,17H,9H2,1H3
InChIKeyFWKLIUPETOJWNZ-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propyl]phenol
CID 65475422
5-chloro-N-[cyclopropyl(phenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 65475618
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1-phenylethanol
CID 65475457
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propane-1,2-diamine
CID 103390190
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 116509048
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]butanenitrile
CID 65476242
5-chloro-N-[1-(4-iodophenyl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473673
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 65474290
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463564
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
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-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine (CID 103464333) is 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine is COCC(Nc1c(Cl)ccc2nsnc12)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is FWKLIUPETOJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-9-13(10-5-3-2-4-6-10)17-14-11(16)7-8-12-15(14)19-21-18-12/h2-8,13,17H,9H2,1H3.
What are the key properties of 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-1-phenylethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 103464333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).