N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide

C12H14Cl2N4OS — CID 60853817

IUPACN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H14Cl2N4OS/c1-6(2)15-4-3-9(19)16-10-7(13)5-8(14)11-12(10)18-20-17-11/h5-6,15H,3-4H2,1-2H3,(H,16,19)
InChIKeyVWFIFGLUGXLZIC-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.32
Rot. Bonds5

About N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide

N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 60853817) has the molecular formula C12H14Cl2N4OS and a molecular weight of 333.24 g/mol. Its IUPAC name is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
PubChem CID60853817
Molecular FormulaC12H14Cl2N4OS
Molecular Weight333.24 g/mol
Exact Mass332.03
IUPAC NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H14Cl2N4OS/c1-6(2)15-4-3-9(19)16-10-7(13)5-8(14)11-12(10)18-20-17-11/h5-6,15H,3-4H2,1-2H3,(H,16,19)
InChIKeyVWFIFGLUGXLZIC-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-ylamino)butanamide
CID 60851320
3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide
CID 65474663
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
2-carbamothioyl-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)butanamide
CID 65475339
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 65474419
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
CID 60847013
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 65452351
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
CID 60854870

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide (CID 60853817) is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is VWFIFGLUGXLZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4OS/c1-6(2)15-4-3-9(19)16-10-7(13)5-8(14)11-12(10)18-20-17-11/h5-6,15H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide?
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 333.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).