N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine

C18H19N3OS — CID 23876038

IUPACN-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine
SMILESCCC(C)=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-3-14(2)20-21-16(17-10-7-11-22-17)13-23-18(21)19-12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3/b19-18-,20-14?
InChIKeyMVLDQAKBZOJCCR-BVZGNOLBSA-N
MW325.44 g/mol
LogP4.54
Rot. Bonds5

About N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine

N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine (PubChem CID 23876038) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine
PubChem CID23876038
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine
SMILESCCC(C)=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-3-14(2)20-21-16(17-10-7-11-22-17)13-23-18(21)19-12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3/b19-18-,20-14?
InChIKeyMVLDQAKBZOJCCR-BVZGNOLBSA-N
XLogP4.54
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605
4-[[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 2436095
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
4-(furan-2-yl)-3-(furan-2-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23907790
(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
CID 23794045
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
3-[(2,3-dimethoxyphenyl)methylideneamino]-4-(furan-2-yl)-N-(2-phenylethyl)-1,3-thiazol-2-imine
CID 23910705
4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23733179
N-benzyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23847728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine (CID 23876038) is N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine is CCC(C)=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine?
The InChIKey is MVLDQAKBZOJCCR-BVZGNOLBSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-14(2)20-21-16(17-10-7-11-22-17)13-23-18(21)19-12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3/b19-18-,20-14?.
What are the key properties of N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine?
N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine has a molecular weight of 325.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23876038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).