N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine

C18H17N3S — CID 23936914

IUPACN-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccccc1
InChIInChI=1S/C18H17N3S/c1-14(15-9-5-3-6-10-15)20-21-17(13-22-18(21)19-2)16-11-7-4-8-12-16/h3-13H,1-2H3/b19-18-,20-14?
InChIKeyLRHKWECQRKFBBA-BVZGNOLBSA-N
MW307.42 g/mol
LogP4.02
Rot. Bonds3

About N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine

N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23936914) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
PubChem CID23936914
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC NameN-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccccc1
InChIInChI=1S/C18H17N3S/c1-14(15-9-5-3-6-10-15)20-21-17(13-22-18(21)19-2)16-11-7-4-8-12-16/h3-13H,1-2H3/b19-18-,20-14?
InChIKeyLRHKWECQRKFBBA-BVZGNOLBSA-N
XLogP4.02
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-
CID 3043860
4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-, hydrochloride
CID 3043866
(E)-3-benzyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 6163400
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-4-methylpentan-2-ylideneamino]-1,3-thiazol-2-imine
CID 9627015
(E)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 9668546
4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine
CID 371384
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine (CID 23936914) is N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccccc1.
What is the InChIKey of N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LRHKWECQRKFBBA-BVZGNOLBSA-N. The full InChI is InChI=1S/C18H17N3S/c1-14(15-9-5-3-6-10-15)20-21-17(13-22-18(21)19-2)16-11-7-4-8-12-16/h3-13H,1-2H3/b19-18-,20-14?.
What are the key properties of N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 307.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23936914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).