N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide

C10H8Cl2N4OS — CID 82176238

IUPACN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
SMILESNCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4OS/c11-5-1-2-7(12)6(3-5)9(17)14-10-16-15-8(4-13)18-10/h1-3H,4,13H2,(H,14,16,17)
InChIKeyMVUAMQLBZNJDOQ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.56
Rot. Bonds3

About N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide

N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide (PubChem CID 82176238) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
PubChem CID82176238
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC NameN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
SMILESNCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4OS/c11-5-1-2-7(12)6(3-5)9(17)14-10-16-15-8(4-13)18-10/h1-3H,4,13H2,(H,14,16,17)
InChIKeyMVUAMQLBZNJDOQ-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 5168739
2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193292
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
2,4-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319637

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide?
The IUPAC name of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide (CID 82176238) is N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide is NCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide?
The InChIKey is MVUAMQLBZNJDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c11-5-1-2-7(12)6(3-5)9(17)14-10-16-15-8(4-13)18-10/h1-3H,4,13H2,(H,14,16,17).
What are the key properties of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide?
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide has a molecular weight of 303.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide is sourced from PubChem (CID 82176238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).