ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate

C19H26N4O2S — CID 71250715

IUPACethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
SMILESCCOC(=O)Nc1csc(Cc2cc(C)c(/N=C/N(C)CC)cc2C)n1
InChIInChI=1S/C19H26N4O2S/c1-6-23(5)12-20-16-9-13(3)15(8-14(16)4)10-18-21-17(11-26-18)22-19(24)25-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,22,24)/b20-12+
InChIKeySDBCJOSYBYSPPA-UDWIEESQSA-N
MW374.51 g/mol
LogP4.53
Rot. Bonds7

About ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate

ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate (PubChem CID 71250715) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
PubChem CID71250715
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Nameethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
SMILESCCOC(=O)Nc1csc(Cc2cc(C)c(/N=C/N(C)CC)cc2C)n1
InChIInChI=1S/C19H26N4O2S/c1-6-23(5)12-20-16-9-13(3)15(8-14(16)4)10-18-21-17(11-26-18)22-19(24)25-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,22,24)/b20-12+
InChIKeySDBCJOSYBYSPPA-UDWIEESQSA-N
XLogP4.53
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate (CID 71250715) is ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate is CCOC(=O)Nc1csc(Cc2cc(C)c(/N=C/N(C)CC)cc2C)n1.
What is the InChIKey of ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate?
The InChIKey is SDBCJOSYBYSPPA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-6-23(5)12-20-16-9-13(3)15(8-14(16)4)10-18-21-17(11-26-18)22-19(24)25-7-2/h8-9,11-12H,6-7,10H2,1-5H3,(H,22,24)/b20-12+.
What are the key properties of ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate?
ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate has a molecular weight of 374.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 71250715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).