N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine

C22H27N3OS — CID 23736140

IUPACN-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=C(C)CC(C)C
InChIInChI=1S/C22H27N3OS/c1-6-23-22-25(24-16(4)11-15(2)3)21(14-27-22)19-8-7-18-13-20(26-5)10-9-17(18)12-19/h7-10,12-15H,6,11H2,1-5H3/b23-22-,24-16?
InChIKeyYNYBQOXPPYNEDD-GKQSKKEZSA-N
MW381.55 g/mol
LogP5.57
Rot. Bonds6

About N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine

N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine (PubChem CID 23736140) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine
PubChem CID23736140
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=C(C)CC(C)C
InChIInChI=1S/C22H27N3OS/c1-6-23-22-25(24-16(4)11-15(2)3)21(14-27-22)19-8-7-18-13-20(26-5)10-9-17(18)12-19/h7-10,12-15H,6,11H2,1-5H3/b23-22-,24-16?
InChIKeyYNYBQOXPPYNEDD-GKQSKKEZSA-N
XLogP5.57
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.57
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

2-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135837564
4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23768998
5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 23931194
2-bromo-4-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135600858
4-(2,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23767611
3-(4-methylpentan-2-ylideneamino)-4-(4-nitrophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23760996
(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
3-(butan-2-ylideneamino)-4-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23881615
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23967743
6-[3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23934414
3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23764740
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-2-imine
CID 23994084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine (CID 23736140) is N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=C(C)CC(C)C.
What is the InChIKey of N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine?
The InChIKey is YNYBQOXPPYNEDD-GKQSKKEZSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-6-23-22-25(24-16(4)11-15(2)3)21(14-27-22)19-8-7-18-13-20(26-5)10-9-17(18)12-19/h7-10,12-15H,6,11H2,1-5H3/b23-22-,24-16?.
What are the key properties of N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine?
N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine has a molecular weight of 381.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23736140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).