5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

C11H11Cl2N3S — CID 61036809

IUPAC5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C11H11Cl2N3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyVCPBPJDRNVHXEJ-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.33
Rot. Bonds4

About 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 61036809) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID61036809
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C11H11Cl2N3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyVCPBPJDRNVHXEJ-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
(2R)-N-(2,5-dichlorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8910854
5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
4-chloro-3-[5-[3-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]phenol
CID 106503504
6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
CID 55138294
4-[5-(propylamino)-1,3,4-thiadiazol-2-yl]benzaldehyde
CID 123397173
5-[(2-chloro-4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614131
5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734394
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 61036809) is 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VCPBPJDRNVHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16).
What are the key properties of 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.20 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61036809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).