6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide

C14H19ClN4OS — CID 65473951

IUPAC6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H19ClN4OS/c1-2-9(7-8-16)3-6-12(20)17-13-10(15)4-5-11-14(13)19-21-18-11/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,20)
InChIKeyCVOCUHQGLCUABK-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.44
Rot. Bonds7

About 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide

6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide (PubChem CID 65473951) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
PubChem CID65473951
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H19ClN4OS/c1-2-9(7-8-16)3-6-12(20)17-13-10(15)4-5-11-14(13)19-21-18-11/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,20)
InChIKeyCVOCUHQGLCUABK-UHFFFAOYSA-N
XLogP3.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
CID 65475114
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-pentan-2-ylacetamide
CID 65474687
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
(2R)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]pentanoic acid
CID 107567148
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propane-1,2-diamine
CID 103390190
6-amino-4-ethyl-N-(thiadiazol-5-yl)hexanamide
CID 114912286
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide?
The IUPAC name of 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide (CID 65473951) is 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide is CCC(CCN)CCC(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide?
The InChIKey is CVOCUHQGLCUABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-2-9(7-8-16)3-6-12(20)17-13-10(15)4-5-11-14(13)19-21-18-11/h4-5,9H,2-3,6-8,16H2,1H3,(H,17,20).
What are the key properties of 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide?
6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide has a molecular weight of 326.85 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide is sourced from PubChem (CID 65473951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).