N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine

C18H25N3O3S — CID 174433020

IUPACN-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine
SMILESCc1cc([N+](=O)[O-])ccc1/N=c1\scc(OC(C)(C)C)n1CC(C)C
InChIInChI=1S/C18H25N3O3S/c1-12(2)10-20-16(24-18(4,5)6)11-25-17(20)19-15-8-7-14(21(22)23)9-13(15)3/h7-9,11-12H,10H2,1-6H3/b19-17-
InChIKeyOUYDAUYMASYILH-ZPHPHTNESA-N
MW363.48 g/mol
LogP4.83
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine

N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine (PubChem CID 174433020) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine
PubChem CID174433020
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine
SMILESCc1cc([N+](=O)[O-])ccc1/N=c1\scc(OC(C)(C)C)n1CC(C)C
InChIInChI=1S/C18H25N3O3S/c1-12(2)10-20-16(24-18(4,5)6)11-25-17(20)19-15-8-7-14(21(22)23)9-13(15)3/h7-9,11-12H,10H2,1-6H3/b19-17-
InChIKeyOUYDAUYMASYILH-ZPHPHTNESA-N
XLogP4.83
TPSA69.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-imine
CID 174447038
N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 18316220
(4S)-N-(2-methyl-4-nitrophenyl)-4-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 59113106
5-methylidene-2-(2-methyl-4-nitrophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 18316520
N-(2,4-dimethylphenyl)-3-(2-ethylhexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23820175
3-benzyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazol-2-imine
CID 175238635
3,3,5-trimethyl-N-(2-methyl-4-nitrophenyl)-1-(2-methylpropyl)pyrrolidin-2-imine
CID 59121934
(4S)-3-methyl-N-(2-methyl-4-nitrophenyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 57049689
6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)iminomethyl]-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 135668895
(4S)-N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,3-thiazolidin-2-imine
CID 59113030
(4S)-N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-4-[[5-(2-methylpropyl)-1H-imidazol-2-yl]methyl]-1,3-thiazolidin-2-imine
CID 57162667
2-[2-(2,4-dimethylphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide
CID 22347704

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine (CID 174433020) is N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine is Cc1cc([N+](=O)[O-])ccc1/N=c1\scc(OC(C)(C)C)n1CC(C)C.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The InChIKey is OUYDAUYMASYILH-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)10-20-16(24-18(4,5)6)11-25-17(20)19-15-8-7-14(21(22)23)9-13(15)3/h7-9,11-12H,10H2,1-6H3/b19-17-.
What are the key properties of N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine?
N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine has a molecular weight of 363.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 174433020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).