2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide

C12H12Cl2N4OS — CID 60866735

IUPAC2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESO=C(CNCC1CC1)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H12Cl2N4OS/c13-7-3-8(14)11-12(18-20-17-11)10(7)16-9(19)5-15-4-6-1-2-6/h3,6,15H,1-2,4-5H2,(H,16,19)
InChIKeyUNLRRCGYRGVYCQ-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.94
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide

2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 60866735) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID60866735
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC Name2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESO=C(CNCC1CC1)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H12Cl2N4OS/c13-7-3-8(14)11-12(18-20-17-11)10(7)16-9(19)5-15-4-6-1-2-6/h3,6,15H,1-2,4-5H2,(H,16,19)
InChIKeyUNLRRCGYRGVYCQ-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
CID 134531707
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
CID 60853817
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 76896736
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
CID 65474030
4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
CID 43790039
N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
CID 119789147
2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
CID 61053149

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide (CID 60866735) is 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide is O=C(CNCC1CC1)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is UNLRRCGYRGVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c13-7-3-8(14)11-12(18-20-17-11)10(7)16-9(19)5-15-4-6-1-2-6/h3,6,15H,1-2,4-5H2,(H,16,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 331.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 60866735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).