3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide

C10H10Cl2N4OS — CID 65474663

IUPAC3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide
SMILESCC(CNc1c(Cl)cc(Cl)c2nsnc12)C(N)=O
InChIInChI=1S/C10H10Cl2N4OS/c1-4(10(13)17)3-14-7-5(11)2-6(12)8-9(7)16-18-15-8/h2,4,14H,3H2,1H3,(H2,13,17)
InChIKeyQLWQUUZCAQQMDW-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.53
Rot. Bonds4

About 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide

3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide (PubChem CID 65474663) has the molecular formula C10H10Cl2N4OS and a molecular weight of 305.19 g/mol. Its IUPAC name is 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide
PubChem CID65474663
Molecular FormulaC10H10Cl2N4OS
Molecular Weight305.19 g/mol
Exact Mass304.00
IUPAC Name3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide
SMILESCC(CNc1c(Cl)cc(Cl)c2nsnc12)C(N)=O
InChIInChI=1S/C10H10Cl2N4OS/c1-4(10(13)17)3-14-7-5(11)2-6(12)8-9(7)16-18-15-8/h2,4,14H,3H2,1H3,(H2,13,17)
InChIKeyQLWQUUZCAQQMDW-UHFFFAOYSA-N
XLogP2.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 65473888
2-carbamothioyl-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)butanamide
CID 65475339
3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
CID 103252291
5,7-dichloro-N-(2-ethylhexyl)-2,1,3-benzothiadiazol-4-amine
CID 65475057
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N'-hydroxypropanimidamide
CID 77067552
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N'-hydroxypropanimidamide
CID 77067551
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
CID 60847013
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
CID 60853817
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 65452351
N-but-2-ynyl-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 65473505
1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
CID 134531707

Frequently Asked Questions

What is the IUPAC name of 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide (CID 65474663) is 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide is CC(CNc1c(Cl)cc(Cl)c2nsnc12)C(N)=O.
What is the InChIKey of 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide?
The InChIKey is QLWQUUZCAQQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4OS/c1-4(10(13)17)3-14-7-5(11)2-6(12)8-9(7)16-18-15-8/h2,4,14H,3H2,1H3,(H2,13,17).
What are the key properties of 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide?
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide has a molecular weight of 305.19 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 65474663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).