ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate

C15H20N4O2S — CID 9076079

IUPACethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C15H20N4O2S/c1-3-21-15(20)19-18-11(2)12-5-7-13(8-6-12)17-14-16-9-4-10-22-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)(H,19,20)/b18-11-
InChIKeyLSEWDPLHZZHHDE-WQRHYEAKSA-N
MW320.42 g/mol
LogP3.06
Rot. Bonds4

About ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate

ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate (PubChem CID 9076079) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate
PubChem CID9076079
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Nameethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C15H20N4O2S/c1-3-21-15(20)19-18-11(2)12-5-7-13(8-6-12)17-14-16-9-4-10-22-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)(H,19,20)/b18-11-
InChIKeyLSEWDPLHZZHHDE-WQRHYEAKSA-N
XLogP3.06
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]carbamate
CID 9211812
N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 9058995
N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 9016056
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
ethyl N-[(Z)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethylideneamino]carbamate
CID 27876680
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 6114072
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate (CID 9076079) is ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate?
The InChIKey is LSEWDPLHZZHHDE-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-21-15(20)19-18-11(2)12-5-7-13(8-6-12)17-14-16-9-4-10-22-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)(H,19,20)/b18-11-.
What are the key properties of ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate?
ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate has a molecular weight of 320.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 9076079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).