N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine

C11H12ClN3S2 — CID 8675422

IUPACN-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S2/c1-2-6-16-11-15-14-10(17-11)13-9-5-3-4-8(12)7-9/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyXCGODWALXRDXHG-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.44
Rot. Bonds5

About N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine

N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 8675422) has the molecular formula C11H12ClN3S2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID8675422
Molecular FormulaC11H12ClN3S2
Molecular Weight285.82 g/mol
Exact Mass285.02
IUPAC NameN-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S2/c1-2-6-16-11-15-14-10(17-11)13-9-5-3-4-8(12)7-9/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyXCGODWALXRDXHG-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (CID 8675422) is N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is CCCSc1nnc(Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XCGODWALXRDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S2/c1-2-6-16-11-15-14-10(17-11)13-9-5-3-4-8(12)7-9/h3-5,7H,2,6H2,1H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).