N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C13H14BrClN4OS — CID 104725156

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cc(Cl)c(C)cc2Br)s1
InChIInChI=1S/C13H14BrClN4OS/c1-3-4-16-13-19-18-12(21-13)11(20)17-10-6-9(15)7(2)5-8(10)14/h5-6H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJQVAIJPLWNWQJR-UHFFFAOYSA-N
MW389.71 g/mol
LogP4.34
Rot. Bonds5

About N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 104725156) has the molecular formula C13H14BrClN4OS and a molecular weight of 389.71 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID104725156
Molecular FormulaC13H14BrClN4OS
Molecular Weight389.71 g/mol
Exact Mass387.98
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cc(Cl)c(C)cc2Br)s1
InChIInChI=1S/C13H14BrClN4OS/c1-3-4-16-13-19-18-12(21-13)11(20)17-10-6-9(15)7(2)5-8(10)14/h5-6H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJQVAIJPLWNWQJR-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 113445673
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114389392
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616815
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 104725156) is N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2cc(Cl)c(C)cc2Br)s1.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JQVAIJPLWNWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4OS/c1-3-4-16-13-19-18-12(21-13)11(20)17-10-6-9(15)7(2)5-8(10)14/h5-6H,3-4H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 389.71 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 104725156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).