N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C14H14ClN5OS2 — CID 24649734

IUPACN-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(Nc3cccc(Cl)c3C)s2)n1
InChIInChI=1S/C14H14ClN5OS2/c1-3-11-17-12(21-20-11)7-22-14-19-18-13(23-14)16-10-6-4-5-9(15)8(10)2/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeyUVRZJNACLGRVDF-UHFFFAOYSA-N
MW367.89 g/mol
LogP4.48
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24649734) has the molecular formula C14H14ClN5OS2 and a molecular weight of 367.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID24649734
Molecular FormulaC14H14ClN5OS2
Molecular Weight367.89 g/mol
Exact Mass367.03
IUPAC NameN-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(Nc3cccc(Cl)c3C)s2)n1
InChIInChI=1S/C14H14ClN5OS2/c1-3-11-17-12(21-20-11)7-22-14-19-18-13(23-14)16-10-6-4-5-9(15)8(10)2/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeyUVRZJNACLGRVDF-UHFFFAOYSA-N
XLogP4.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 24649734) is N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCc1noc(CSc2nnc(Nc3cccc(Cl)c3C)s2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UVRZJNACLGRVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5OS2/c1-3-11-17-12(21-20-11)7-22-14-19-18-13(23-14)16-10-6-4-5-9(15)8(10)2/h4-6H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 367.89 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24649734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).