N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C20H17N5OS — CID 168577708

IUPACN-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nnc(-c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)o1
InChIInChI=1S/C20H17N5OS/c1-2-18-23-24-19(26-18)16-10-8-14(9-11-16)12-21-25-20-22-17(13-27-20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,22,25)
InChIKeyBDUPNWTXNBIKGW-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.87
Rot. Bonds6

About N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577708) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577708
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nnc(-c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)o1
InChIInChI=1S/C20H17N5OS/c1-2-18-23-24-19(26-18)16-10-8-14(9-11-16)12-21-25-20-22-17(13-27-20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,22,25)
InChIKeyBDUPNWTXNBIKGW-UHFFFAOYSA-N
XLogP4.87
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
4-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577708) is N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCc1nnc(-c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)o1.
What is the InChIKey of N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is BDUPNWTXNBIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-2-18-23-24-19(26-18)16-10-8-14(9-11-16)12-21-25-20-22-17(13-27-20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,22,25).
What are the key properties of N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 375.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).